MiMeDB: Showing metabocard for Fumihopaside A (MMDBc0026568)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 16:13:07 UTC

Update Date

2025-10-07 16:07:41 UTC

Metabolite ID

MMDBc0026568

Metabolite Identification

Common Name

Fumihopaside A

Description

Fumihopaside A is a rare fungal hopane-type triterpenoid glycoside identified in Aspergillus fumigatus. Its chemical structure features a triterpenoid backbone characteristic of hopanoids, which are known for their complex ring systems and functional groups that contribute to their biological activities. The identification of fumihopaside A was achieved through genome mining coupled with HPLC-MS/MS techniques, highlighting its unique biosynthetic origin (PMID:30977375 ). In terms of biological pathways, bioassays have indicated that fumihopaside A plays important roles in protecting A. fumigatus, suggesting its involvement in the organism's defense mechanisms or stress responses (PMID:30977375 ). The specific pathways remain to be fully elucidated, but the compound's triterpenoid nature suggests potential interactions with cellular membranes or signaling pathways, which could be critical for the survival and adaptability of the fungus in various environments. Overall, fumihopaside A exemplifies the intricate chemistry and biological relevance of natural products derived from fungi.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152118132D          

 57 62  0  0  1  0            999 V2000
    4.4920   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2109    1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7139    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1454    2.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1403    0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    1.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    1.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    1.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924    4.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580    1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.0579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0666    0.8741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2615    3.6440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1378    1.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0141    0.3623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3643    0.3874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1104    0.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9015    3.1234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7706    2.3089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9997    2.0149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3597    2.5356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3094    1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.3498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5394    0.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3129    1.1332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6125    1.0830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7876    1.0955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6880    1.4167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1632    4.7525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353    0.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6723    3.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4106    1.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8688    1.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    2.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2306    0.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889    2.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906    3.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    1.0704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8652    1.6741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324    3.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    0.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627    1.1081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120    1.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    2.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306    2.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397    1.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288    1.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  1  0  0  0
 22 11  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 12  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 31  1  1  1  0  0  0
 31 13  1  0  0  0  0
 31 19  1  0  0  0  0
 31 23  1  0  0  0  0
 32  2  1  6  0  0  0
 32 14  1  0  0  0  0
 32 22  1  0  0  0  0
 32 24  1  0  0  0  0
 33  3  1  1  0  0  0
 33 18  1  6  0  0  0
 33 22  1  0  0  0  0
 33 25  1  0  0  0  0
 34  4  1  1  0  0  0
 34 15  1  0  0  0  0
 34 23  1  0  0  0  0
 35  5  1  6  0  0  0
 35 16  1  0  0  0  0
 35 24  1  0  0  0  0
 35 34  1  0  0  0  0
 36  6  1  6  0  0  0
 20 36  1  1  0  0  0
 36 30  1  0  0  0  0
 37 17  1  0  0  0  0
 25 38  1  6  0  0  0
 26 39  1  6  0  0  0
 27 40  1  6  0  0  0
 28 41  1  6  0  0  0
 42 30  2  0  0  0  0
 43 30  1  0  0  0  0
 36 44  1  6  0  0  0
 45 18  1  0  0  0  0
 29 45  1  6  0  0  0
 46 21  1  0  0  0  0
 46 29  1  0  0  0  0
 19 47  1  6  0  0  0
 20 48  1  6  0  0  0
 21 49  1  6  0  0  0
 22 50  1  1  0  0  0
 23 51  1  6  0  0  0
 24 52  1  1  0  0  0
 25 53  1  1  0  0  0
 26 54  1  1  0  0  0
 27 55  1  6  0  0  0
 28 56  1  1  0  0  0
 29 57  1  1  0  0  0
M  END


  Mrv1652305152118132D          

 57 62  0  0  1  0            999 V2000
    4.4920   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2109    1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7139    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1454    2.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1403    0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    1.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    1.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2912   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   -0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    1.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924    4.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580    1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.0579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0666    0.8741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2615    3.6440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1378    1.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0141    0.3623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3643    0.3874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1104    0.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9015    3.1234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7706    2.3089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9997    2.0149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3597    2.5356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3094    1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.3498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5394    0.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3129    1.1332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6125    1.0830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7876    1.0955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6880    1.4167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1632    4.7525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353    0.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6723    3.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4106    1.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8688    1.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    2.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2306    0.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889    2.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906    3.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    1.0704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8652    1.6741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324    3.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    0.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627    1.1081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120    1.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    2.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306    2.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397    1.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288    1.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  1  0  0  0
 22 11  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 12  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 31  1  1  1  0  0  0
 31 13  1  0  0  0  0
 31 19  1  0  0  0  0
 31 23  1  0  0  0  0
 32  2  1  6  0  0  0
 32 14  1  0  0  0  0
 32 22  1  0  0  0  0
 32 24  1  0  0  0  0
 33  3  1  1  0  0  0
 33 18  1  6  0  0  0
 33 22  1  0  0  0  0
 33 25  1  0  0  0  0
 34  4  1  1  0  0  0
 34 15  1  0  0  0  0
 34 23  1  0  0  0  0
 35  5  1  6  0  0  0
 35 16  1  0  0  0  0
 35 24  1  0  0  0  0
 35 34  1  0  0  0  0
 36  6  1  6  0  0  0
 20 36  1  1  0  0  0
 36 30  1  0  0  0  0
 37 17  1  0  0  0  0
 25 38  1  6  0  0  0
 26 39  1  6  0  0  0
 27 40  1  6  0  0  0
 28 41  1  6  0  0  0
 42 30  2  0  0  0  0
 43 30  1  0  0  0  0
 36 44  1  6  0  0  0
 45 18  1  0  0  0  0
 29 45  1  6  0  0  0
 46 21  1  0  0  0  0
 46 29  1  0  0  0  0
 19 47  1  6  0  0  0
 20 48  1  6  0  0  0
 21 49  1  6  0  0  0
 22 50  1  1  0  0  0
 23 51  1  6  0  0  0
 24 52  1  1  0  0  0
 25 53  1  1  0  0  0
 26 54  1  1  0  0  0
 27 55  1  6  0  0  0
 28 56  1  1  0  0  0
 29 57  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0026568

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]1(CC[C@@]2(C)[C@@]1([H])CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@]([H])(O)[C@](C)(CO[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@]3([H])CC[C@@]12C)[C@](C)(O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C36H60O10/c1-31-13-9-20(36(6,44)30(42)43)19(31)10-15-34(4)23(31)7-8-24-32(2)14-12-25(38)33(3,22(32)11-16-35(24,34)5)18-45-29-28(41)27(40)26(39)21(17-37)46-29/h19-29,37-41,44H,7-18H2,1-6H3,(H,42,43)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28+,29-,31-,32-,33+,34+,35+,36-/m0/s1

> <INCHI_KEY>
BSLRSZZCUIZWND-YDEHQZECSA-N

> <FORMULA>
C36H60O10

> <MOLECULAR_WEIGHT>
652.866

> <EXACT_MASS>
652.418648132

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
73.02871216465937

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-hydroxy-2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]propanoic acid

> <ALOGPS_LOGP>
2.92

> <JCHEM_LOGP>
2.776478323666667

> <ALOGPS_LOGS>
-4.41

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.200477615002002

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.205974345071307

> <JCHEM_PKA_STRONGEST_BASIC>
-2.960092891701776

> <JCHEM_POLAR_SURFACE_AREA>
177.14

> <JCHEM_REFRACTIVITY>
168.56410000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.55e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-hydroxy-2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0       8.385  -0.744   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.623  -0.599   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.875   3.628   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.994   3.367   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.066   3.579   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.471   3.805   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.703  -0.645   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.163  -0.622   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.462   0.098   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.073   3.320   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.914   3.414   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.543  -0.552   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.046  -0.507   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.083  -0.575   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.534   3.343   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.454   3.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.466   8.323   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.855   2.664   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.823   1.975   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.324   1.632   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.221   6.802   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.124   2.092   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.493   0.676   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.413   0.723   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.206   0.793   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.416   5.830   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.172   4.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.733   3.761   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.538   4.733   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.644   3.658   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.033   0.653   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.874   0.747   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.584   2.115   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.743   2.022   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.204   2.045   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      12.484   2.645   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -5.905   8.871   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -1.746   0.817   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -6.855   6.379   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -6.366   3.338   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -3.488   2.241   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      13.347   5.169   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      15.101   3.159   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      13.497   1.485   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -1.099   4.184   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -2.782   6.254   0.000  0.00  0.00           O+0
HETATM   47  H   UNK     0       8.283   1.998   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0      10.948   3.125   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0      -5.660   7.351   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0       5.953   0.700   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0       3.664   2.068   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0      -0.956   2.139   0.000  0.00  0.00           H+0
HETATM   54  H   UNK     0      -6.611   4.859   0.000  0.00  0.00           H+0
HETATM   55  H   UNK     0      -3.977   5.282   0.000  0.00  0.00           H+0
HETATM   56  H   UNK     0      -4.927   2.789   0.000  0.00  0.00           H+0
HETATM   57  H   UNK     0      -2.294   3.213   0.000  0.00  0.00           H+0
CONECT    1   31                                                            
CONECT    2   32                                                            
CONECT    3   33                                                            
CONECT    4   34                                                            
CONECT    5   35                                                            
CONECT    6   36                                                            
CONECT    7    8   23                                                       
CONECT    8    7   24                                                       
CONECT    9   13   20                                                       
CONECT   10   15   19                                                       
CONECT   11   16   22                                                       
CONECT   12   14   25                                                       
CONECT   13    9   31                                                       
CONECT   14   12   32                                                       
CONECT   15   10   34                                                       
CONECT   16   11   35                                                       
CONECT   17   21   37                                                       
CONECT   18   33   45                                                       
CONECT   19   10   20   31   47                                             
CONECT   20    9   19   36   48                                             
CONECT   21   17   26   46   49                                             
CONECT   22   11   32   33   50                                             
CONECT   23    7   31   34   51                                             
CONECT   24    8   32   35   52                                             
CONECT   25   12   33   38   53                                             
CONECT   26   21   27   39   54                                             
CONECT   27   26   28   40   55                                             
CONECT   28   27   29   41   56                                             
CONECT   29   28   45   46   57                                             
CONECT   30   36   42   43                                                  
CONECT   31    1   13   19   23                                             
CONECT   32    2   14   22   24                                             
CONECT   33    3   18   22   25                                             
CONECT   34    4   15   23   35                                             
CONECT   35    5   16   24   34                                             
CONECT   36    6   20   30   44                                             
CONECT   37   17                                                            
CONECT   38   25                                                            
CONECT   39   26                                                            
CONECT   40   27                                                            
CONECT   41   28                                                            
CONECT   42   30                                                            
CONECT   43   30                                                            
CONECT   44   36                                                            
CONECT   45   18   29                                                       
CONECT   46   21   29                                                       
CONECT   47   19                                                            
CONECT   48   20                                                            
CONECT   49   21                                                            
CONECT   50   22                                                            
CONECT   51   23                                                            
CONECT   52   24                                                            
CONECT   53   25                                                            
CONECT   54   26                                                            
CONECT   55   27                                                            
CONECT   56   28                                                            
CONECT   57   29                                                            
MASTER        0    0    0    0    0    0    0    0   57    0  124    0
END

Synonyms

Not Available

Molecular Formula

C₃₆H₆₀O₁₀

Average Mass

652.866

Monoisotopic Mass

652.418648132

IUPAC Name

(2S)-2-hydroxy-2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]propanoic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@@]2(C)[C@@]1([H])CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@]([H])(O)[C@](C)(CO[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@]3([H])CC[C@@]12C)[C@](C)(O)C(O)=O

InChI Identifier

InChI=1S/C36H60O10/c1-31-13-9-20(36(6,44)30(42)43)19(31)10-15-34(4)23(31)7-8-24-32(2)14-12-25(38)33(3,22(32)11-16-35(24,34)5)18-45-29-28(41)27(40)26(39)21(17-37)46-29/h19-29,37-41,44H,7-18H2,1-6H3,(H,42,43)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28+,29-,31-,32-,33+,34+,35+,36-/m0/s1

InChI Key

BSLRSZZCUIZWND-YDEHQZECSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Triterpene saponins

Alternative Parents

Substituents

Triterpene saponin
Triterpenoid
Hopane-skeleton
20-hydroxysteroid
Steroid acid
Hydroxysteroid
Steroid
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Oxane
Monosaccharide
Hydroxy acid
Alpha-hydroxy acid
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.026 g/L	ALOGPS
logP	2.92	ALOGPS
logP	2.78	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	4.21	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	177.14 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	168.56 m³·mol⁻¹	ChemAxon
Polarizability	73.03 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_8) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	365.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	129.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	584.1
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	759.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	522.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	145.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2960.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	270.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	286.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	515.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	197.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	168.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	216.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	16.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	213.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	490.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	484.3
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1501.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	1041.1

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Fumihopaside A_TMS_1	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1910.95
Gas Chromatography	Fumihopaside A_TMS_2	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2169.81
Gas Chromatography	Fumihopaside A_TMS_3	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2556.41
Gas Chromatography	Fumihopaside A_TMS_4	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3263.03
Gas Chromatography	Fumihopaside A_TMS_5	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2839.79
Gas Chromatography	Fumihopaside A_TMS_6	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2232.41
Gas Chromatography	Fumihopaside A_TMS_7	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3086.32
Gas Chromatography	Fumihopaside A_TMS_8	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2387.3
Gas Chromatography	Fumihopaside A_TMS_9	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2333.81
Gas Chromatography	Fumihopaside A_TMS_10	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3212.8
Gas Chromatography	Fumihopaside A_TMS_11	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1880.94
Gas Chromatography	Fumihopaside A_TMS_12	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2028.62
Gas Chromatography	Fumihopaside A_TMS_13	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2565.86
Gas Chromatography	Fumihopaside A_TMS_14	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2699.44
Gas Chromatography	Fumihopaside A_TMS_15	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1875.66
Gas Chromatography	Fumihopaside A_TMS_16	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1374.4
Gas Chromatography	Fumihopaside A_TMS_17	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3060.38
Gas Chromatography	Fumihopaside A_TMS_18	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1046.16
Gas Chromatography	Fumihopaside A_TMS_19	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2109.63
Gas Chromatography	Fumihopaside A_TMS_20	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3351.79
Gas Chromatography	Fumihopaside A_TMS_21	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3334.62
Gas Chromatography	Fumihopaside A_TMS_22	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	84.5597
Gas Chromatography	Fumihopaside A_TMS_23	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	984.257
Gas Chromatography	Fumihopaside A_TMS_24	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2070.84
Gas Chromatography	Fumihopaside A_TMS_25	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1826.12
Gas Chromatography	Fumihopaside A_TMS_26	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1605.18
Gas Chromatography	Fumihopaside A_TMS_27	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3434.92
Gas Chromatography	Fumihopaside A_TMS_28	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3527.81
Gas Chromatography	Fumihopaside A_TMS_29	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1038.15
Gas Chromatography	Fumihopaside A_TMS_30	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2565.12
Gas Chromatography	Fumihopaside A_TMS_31	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1169.25
Gas Chromatography	Fumihopaside A_TMS_32	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1850.86
Gas Chromatography	Fumihopaside A_TMS_33	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	-118.942
Gas Chromatography	Fumihopaside A_TMS_34	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2710.06
Gas Chromatography	Fumihopaside A_TMS_35	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3483.98
Gas Chromatography	Fumihopaside A_TMS_36	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2263.88
Gas Chromatography	Fumihopaside A_TMS_37	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1508.89
Gas Chromatography	Fumihopaside A_TMS_38	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1733.47
Gas Chromatography	Fumihopaside A_TMS_39	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2358.58
Gas Chromatography	Fumihopaside A_TMS_40	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1468.9
Gas Chromatography	Fumihopaside A_TMS_41	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1907.12
Gas Chromatography	Fumihopaside A_TMS_42	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2751.87
Gas Chromatography	Fumihopaside A_TMS_43	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2293.39
Gas Chromatography	Fumihopaside A_TMS_44	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1198.91
Gas Chromatography	Fumihopaside A_TMS_45	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1492.96
Gas Chromatography	Fumihopaside A_TMS_46	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	891.192
Gas Chromatography	Fumihopaside A_TMS_47	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1712.83
Gas Chromatography	Fumihopaside A_TMS_48	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1770.66
Gas Chromatography	Fumihopaside A_TMS_49	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	-534.863
Gas Chromatography	Fumihopaside A_TMS_50	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2765.56
Gas Chromatography	Fumihopaside A_TMS_51	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2957.69
Gas Chromatography	Fumihopaside A_TMS_52	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2813.33
Gas Chromatography	Fumihopaside A_TMS_53	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1035.16
Gas Chromatography	Fumihopaside A_TMS_54	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	991.842
Gas Chromatography	Fumihopaside A_TMS_55	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2440.71
Gas Chromatography	Fumihopaside A_TMS_56	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3027.16
Gas Chromatography	Fumihopaside A_TMS_57	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	3528.07
Gas Chromatography	Fumihopaside A_TMS_58	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1582.49
Gas Chromatography	Fumihopaside A_TMS_59	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	2100.99
Gas Chromatography	Fumihopaside A_TMS_60	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1387.37
Gas Chromatography	Fumihopaside A_TMS_61	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	979.652
Gas Chromatography	Fumihopaside A_TMS_62	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1018.36
Gas Chromatography	Fumihopaside A_TMS_63	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard non polar	2025-10-23	1622.28
Gas Chromatography	Fumihopaside A_TMS_1	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	4121.48
Gas Chromatography	Fumihopaside A_TMS_2	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2910.62
Gas Chromatography	Fumihopaside A_TMS_3	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2720.92
Gas Chromatography	Fumihopaside A_TMS_4	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	658.761
Gas Chromatography	Fumihopaside A_TMS_5	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2066.48
Gas Chromatography	Fumihopaside A_TMS_6	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3334.73
Gas Chromatography	Fumihopaside A_TMS_7	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2501.77
Gas Chromatography	Fumihopaside A_TMS_8	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	760.044
Gas Chromatography	Fumihopaside A_TMS_9	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3194.78
Gas Chromatography	Fumihopaside A_TMS_10	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2565.95
Gas Chromatography	Fumihopaside A_TMS_11	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1244.71
Gas Chromatography	Fumihopaside A_TMS_12	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	657.572
Gas Chromatography	Fumihopaside A_TMS_13	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3310.51
Gas Chromatography	Fumihopaside A_TMS_14	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1697.86
Gas Chromatography	Fumihopaside A_TMS_15	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3201.23
Gas Chromatography	Fumihopaside A_TMS_16	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1154.79
Gas Chromatography	Fumihopaside A_TMS_17	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	4235.73
Gas Chromatography	Fumihopaside A_TMS_18	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3710.82
Gas Chromatography	Fumihopaside A_TMS_19	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1089.18
Gas Chromatography	Fumihopaside A_TMS_20	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2730.26
Gas Chromatography	Fumihopaside A_TMS_21	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2142.18
Gas Chromatography	Fumihopaside A_TMS_22	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2633.03
Gas Chromatography	Fumihopaside A_TMS_23	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3466.4
Gas Chromatography	Fumihopaside A_TMS_24	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1891.51
Gas Chromatography	Fumihopaside A_TMS_25	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1238.32
Gas Chromatography	Fumihopaside A_TMS_26	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1976.62
Gas Chromatography	Fumihopaside A_TMS_27	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2273.94
Gas Chromatography	Fumihopaside A_TMS_28	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2091.34
Gas Chromatography	Fumihopaside A_TMS_29	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2328.29
Gas Chromatography	Fumihopaside A_TMS_30	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1625.81
Gas Chromatography	Fumihopaside A_TMS_31	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1266.31
Gas Chromatography	Fumihopaside A_TMS_32	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1720.33
Gas Chromatography	Fumihopaside A_TMS_33	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3829.99
Gas Chromatography	Fumihopaside A_TMS_34	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3796.56
Gas Chromatography	Fumihopaside A_TMS_35	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1336.54
Gas Chromatography	Fumihopaside A_TMS_36	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1406.83
Gas Chromatography	Fumihopaside A_TMS_37	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1390.47
Gas Chromatography	Fumihopaside A_TMS_38	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2301.39
Gas Chromatography	Fumihopaside A_TMS_39	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2376.45
Gas Chromatography	Fumihopaside A_TMS_40	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2486.52
Gas Chromatography	Fumihopaside A_TMS_41	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2229.11
Gas Chromatography	Fumihopaside A_TMS_42	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2670.27
Gas Chromatography	Fumihopaside A_TMS_43	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1677.6
Gas Chromatography	Fumihopaside A_TMS_44	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3225.71
Gas Chromatography	Fumihopaside A_TMS_45	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	482.167
Gas Chromatography	Fumihopaside A_TMS_46	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1702.36
Gas Chromatography	Fumihopaside A_TMS_47	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	429.072
Gas Chromatography	Fumihopaside A_TMS_48	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2242.02
Gas Chromatography	Fumihopaside A_TMS_49	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1285.32
Gas Chromatography	Fumihopaside A_TMS_50	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	907.048
Gas Chromatography	Fumihopaside A_TMS_51	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1517.84
Gas Chromatography	Fumihopaside A_TMS_52	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	-890.685
Gas Chromatography	Fumihopaside A_TMS_53	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2797.98
Gas Chromatography	Fumihopaside A_TMS_54	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1804.24
Gas Chromatography	Fumihopaside A_TMS_55	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2821.51
Gas Chromatography	Fumihopaside A_TMS_56	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	3582.49
Gas Chromatography	Fumihopaside A_TMS_57	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1700.01
Gas Chromatography	Fumihopaside A_TMS_58	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2917.57
Gas Chromatography	Fumihopaside A_TMS_59	C[C@@](O)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1749.14
Gas Chromatography	Fumihopaside A_TMS_60	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H]3CC[C@]21C	standard polar	2025-10-23	1491.2
Gas Chromatography	Fumihopaside A_TMS_61	C[C@@](O[Si](C)(C)C)(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2817.01
Gas Chromatography	Fumihopaside A_TMS_62	C[C@@](O)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	2479.31
Gas Chromatography	Fumihopaside A_TMS_63	C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@](C)(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H]3CC[C@]21C	standard polar	2025-10-23	847.401

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

146683187

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Fumihopaside A (MMDBc0026568)

MOL for #<Metabolite:0x00007f9ad81d1f80>

3D MOL for #<Metabolite:0x00007f9ad81d1f80>

3D SDF for #<Metabolite:0x00007f9ad81d1f80>

3D-SDF for #<Metabolite:0x00007f9ad81d1f80>

PDB for #<Metabolite:0x00007f9ad81d1f80>

3D PDB for #<Metabolite:0x00007f9ad81d1f80>

SMILES for #<Metabolite:0x00007f9ad81d1f80>

INCHI for #<Metabolite:0x00007f9ad81d1f80>

Structure for #<Metabolite:0x00007f9ad81d1f80>

3D Structure for #<Metabolite:0x00007f9ad81d1f80>