MiMeDB: Showing metabocard for Ganoderenic acid B (MMDBc0004543)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-14 22:28:38 UTC

Update Date

2022-12-15 22:51:43 UTC

Metabolite ID

MMDBc0004543

Metabolite Identification

Common Name

Ganoderenic acid B

Description

Ganoderenic Acid B, also known as ganoderenate b, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review very few articles have been published on Ganoderenic Acid B.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152100282D          

 43 46  0  0  1  0            999 V2000
   -0.5528   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6136    2.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119    3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    2.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    1.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    2.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919    1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    2.6391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8111    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.6682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0962    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900    3.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.3777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4672    0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7475    1.7180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8091    1.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081    3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230    3.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009    4.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728    3.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873   -0.2209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3028    1.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    1.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    3.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 15  1  1  0  0  0  0
 15 10  2  0  0  0  0
 16  2  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26 16  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28  5  1  1  0  0  0
 28  9  1  0  0  0  0
 28 21  1  0  0  0  0
 28 24  1  0  0  0  0
 29  6  1  1  0  0  0
 29 14  1  0  0  0  0
 29 18  1  0  0  0  0
 30  7  1  6  0  0  0
 30 23  1  0  0  0  0
 30 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 17  2  0  0  0  0
 19 32  1  1  0  0  0
 33 20  2  0  0  0  0
 22 34  1  1  0  0  0
 35 23  2  0  0  0  0
 36 26  2  0  0  0  0
 37 26  1  0  0  0  0
 38 10  1  0  0  0  0
 39 16  1  0  0  0  0
 40 18  1  0  0  0  0
 19 41  1  6  0  0  0
 42 21  1  0  0  0  0
 22 43  1  6  0  0  0
M  END


  Mrv1652305152100282D          

 43 46  0  0  1  0            999 V2000
   -0.5528   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6136    2.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119    3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    2.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    1.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    2.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919    1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    2.6391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8111    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.6682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0962    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900    3.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.3777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4672    0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7475    1.7180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8091    1.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081    3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230    3.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009    4.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728    3.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873   -0.2209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3028    1.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    1.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    3.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 15  1  1  0  0  0  0
 15 10  2  0  0  0  0
 16  2  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26 16  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28  5  1  1  0  0  0
 28  9  1  0  0  0  0
 28 21  1  0  0  0  0
 28 24  1  0  0  0  0
 29  6  1  1  0  0  0
 29 14  1  0  0  0  0
 29 18  1  0  0  0  0
 30  7  1  6  0  0  0
 30 23  1  0  0  0  0
 30 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 17  2  0  0  0  0
 19 32  1  1  0  0  0
 33 20  2  0  0  0  0
 22 34  1  1  0  0  0
 35 23  2  0  0  0  0
 36 26  2  0  0  0  0
 37 26  1  0  0  0  0
 38 10  1  0  0  0  0
 39 16  1  0  0  0  0
 40 18  1  0  0  0  0
 19 41  1  6  0  0  0
 42 21  1  0  0  0  0
 22 43  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0004543

> <DATABASE_NAME>
MIME

> <SMILES>
[H]\C(C(=O)CC([H])(C)C(O)=O)=C(/C)C1([H])CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)C1([H])C[C@]3([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18?,19-,21?,22-,28-,29+,30-/m0/s1

> <INCHI_KEY>
QECQJYAIIIIKJB-XYJGWYKWSA-N

> <FORMULA>
C30H42O7

> <MOLECULAR_WEIGHT>
514.659

> <EXACT_MASS>
514.293053692

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
56.87246611757007

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5Z)-6-[(2S,5S,9S,11R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxohept-5-enoic acid

> <ALOGPS_LOGP>
3.71

> <JCHEM_LOGP>
3.2575475693333344

> <ALOGPS_LOGS>
-4.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.514632516598368

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.278999214680921

> <JCHEM_PKA_STRONGEST_BASIC>
-0.806953877050932

> <JCHEM_POLAR_SURFACE_AREA>
128.96999999999997

> <JCHEM_REFRACTIVITY>
139.75600000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.17e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z)-6-[(2S,5S,9S,11R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxohept-5-enoic 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      -1.032  -0.834   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.879   5.083   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.929   5.737   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.791   5.064   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.897   1.123   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.200   0.373   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.764   4.702   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.929   1.666   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.413   1.394   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.138   0.803   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.773   3.446   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.095   3.288   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.950   5.197   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.865   0.581   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.612   0.593   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.353   4.872   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.718   2.230   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.667   1.809   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.434   4.926   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.381   0.852   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.943   4.020   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.452   3.114   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.179   4.152   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.904   2.301   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.911   3.478   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.408   6.088   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.459   4.291   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.420   2.572   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.872   1.759   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.395   3.207   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -5.244   2.441   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.442   6.104   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.374  -0.325   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       9.968   3.385   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.230   5.691   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -2.988   7.514   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -0.883   5.877   0.000  0.00  0.00           O+0
HETATM   38  H   UNK     0      -4.083  -0.412   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      -4.298   3.656   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      -2.180   2.099   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0       3.958   6.375   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       4.427   3.749   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       8.975   4.562   0.000  0.00  0.00           H+0
CONECT    1   15                                                            
CONECT    2   16                                                            
CONECT    3   27                                                            
CONECT    4   27                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7   30                                                            
CONECT    8    9   22                                                       
CONECT    9    8   28                                                       
CONECT   10   15   17   38                                                  
CONECT   11   16   17                                                       
CONECT   12   18   23                                                       
CONECT   13   19   21                                                       
CONECT   14   20   29                                                       
CONECT   15    1   10   18                                                  
CONECT   16    2   11   26   39                                             
CONECT   17   10   11   31                                                  
CONECT   18   12   15   29   40                                             
CONECT   19   13   25   32   41                                             
CONECT   20   14   24   33                                                  
CONECT   21   13   27   28   42                                             
CONECT   22    8   27   34   43                                             
CONECT   23   12   30   35                                                  
CONECT   24   20   25   28                                                  
CONECT   25   19   24   30                                                  
CONECT   26   16   36   37                                                  
CONECT   27    3    4   21   22                                             
CONECT   28    5    9   21   24                                             
CONECT   29    6   14   18   30                                             
CONECT   30    7   23   25   29                                             
CONECT   31   17                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
CONECT   36   26                                                            
CONECT   37   26                                                            
CONECT   38   10                                                            
CONECT   39   16                                                            
CONECT   40   18                                                            
CONECT   41   19                                                            
CONECT   42   21                                                            
CONECT   43   22                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

Synonyms

Value	Source
Ganoderenate b	Generator

Molecular Formula

C₃₀H₄₂O₇

Average Mass

514.659

Monoisotopic Mass

514.293053692

IUPAC Name

(5Z)-6-[(2S,5S,9S,11R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxohept-5-enoic acid

Traditional Name

(5Z)-6-[(2S,5S,9S,11R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxohept-5-enoic acid

CAS Registry Number

Not Available

SMILES

[H]\C(C(=O)CC([H])(C)C(O)=O)=C(/C)C1([H])CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)C1([H])C[C@]3([H])O

InChI Identifier

InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18?,19-,21?,22-,28-,29+,30-/m0/s1

InChI Key

QECQJYAIIIIKJB-XYJGWYKWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
23-oxosteroid
Steroid acid
3-hydroxysteroid
Hydroxysteroid
11-oxosteroid
15-oxosteroid
Oxosteroid
3-beta-hydroxysteroid
7-alpha-hydroxysteroid
7-hydroxysteroid
14-alpha-methylsteroid
Steroid
Medium-chain keto acid
Gamma-keto acid
Branched fatty acid
Methyl-branched fatty acid
Cyclohexenone
Hydroxy fatty acid
Unsaturated fatty acid
Fatty acyl
Keto acid
Cyclic alcohol
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Secondary alcohol
Ketone
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxide
Organooxygen compound
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.012 g/L	ALOGPS
logP	3.71	ALOGPS
logP	3.26	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	4.28	ChemAxon
pKa (Strongest Basic)	-0.81	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	128.97 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	139.76 m³·mol⁻¹	ChemAxon
Polarizability	56.87 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

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 (void)	2025-10-23	142.9
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	66.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	536.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	556.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	513.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	156.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2826.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	91.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	341.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	474.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	173.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	153.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	205.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	10.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	218.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	114.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	432.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1499.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	979.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Ganoderenic acid B_TMS_1	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1824.85
Gas Chromatography	Ganoderenic acid B_TMS_2	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1170.21
Gas Chromatography	Ganoderenic acid B_TMS_3	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1587.48
Gas Chromatography	Ganoderenic acid B_TMS_4	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1524.1
Gas Chromatography	Ganoderenic acid B_TMS_5	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	825.996
Gas Chromatography	Ganoderenic acid B_TMS_6	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2612.13
Gas Chromatography	Ganoderenic acid B_TMS_7	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1397.79
Gas Chromatography	Ganoderenic acid B_TMS_8	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1310.28
Gas Chromatography	Ganoderenic acid B_TMS_9	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	3480.37
Gas Chromatography	Ganoderenic acid B_TMS_10	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1477.36
Gas Chromatography	Ganoderenic acid B_TMS_11	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2739.17
Gas Chromatography	Ganoderenic acid B_TMS_12	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1761.91
Gas Chromatography	Ganoderenic acid B_TMS_13	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	3208.66
Gas Chromatography	Ganoderenic acid B_TMS_14	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1608.86
Gas Chromatography	Ganoderenic acid B_TMS_15	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1998.43
Gas Chromatography	Ganoderenic acid B_TMS_16	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2736.24
Gas Chromatography	Ganoderenic acid B_TMS_17	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2137.46
Gas Chromatography	Ganoderenic acid B_TMS_18	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1867.18
Gas Chromatography	Ganoderenic acid B_TMS_19	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2369.08
Gas Chromatography	Ganoderenic acid B_TMS_20	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1620.5
Gas Chromatography	Ganoderenic acid B_TMS_21	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1581.62
Gas Chromatography	Ganoderenic acid B_TMS_22	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1427.23
Gas Chromatography	Ganoderenic acid B_TMS_23	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2178.8
Gas Chromatography	Ganoderenic acid B_TMS_24	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2771.79
Gas Chromatography	Ganoderenic acid B_TMS_25	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1337.13
Gas Chromatography	Ganoderenic acid B_TMS_26	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1715.55
Gas Chromatography	Ganoderenic acid B_TMS_27	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2351.44
Gas Chromatography	Ganoderenic acid B_TMS_28	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2297.93
Gas Chromatography	Ganoderenic acid B_TMS_29	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1312.23
Gas Chromatography	Ganoderenic acid B_TMS_30	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2529.51
Gas Chromatography	Ganoderenic acid B_TMS_31	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1597.49
Gas Chromatography	Ganoderenic acid B_TMS_32	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2064.99
Gas Chromatography	Ganoderenic acid B_TMS_33	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2225.74
Gas Chromatography	Ganoderenic acid B_TMS_34	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1150.36
Gas Chromatography	Ganoderenic acid B_TMS_35	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1873.52
Gas Chromatography	Ganoderenic acid B_TMS_36	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2494.1
Gas Chromatography	Ganoderenic acid B_TMS_37	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1872.9
Gas Chromatography	Ganoderenic acid B_TMS_38	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2808.05
Gas Chromatography	Ganoderenic acid B_TMS_39	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2554.22
Gas Chromatography	Ganoderenic acid B_TMS_40	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2837.03
Gas Chromatography	Ganoderenic acid B_TMS_41	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1683.99
Gas Chromatography	Ganoderenic acid B_TMS_42	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1859.9
Gas Chromatography	Ganoderenic acid B_TMS_43	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	482.737
Gas Chromatography	Ganoderenic acid B_TMS_44	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2211.41
Gas Chromatography	Ganoderenic acid B_TMS_45	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2940.74
Gas Chromatography	Ganoderenic acid B_TMS_46	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	3292.19
Gas Chromatography	Ganoderenic acid B_TMS_47	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	600.083
Gas Chromatography	Ganoderenic acid B_TMS_48	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1768.06
Gas Chromatography	Ganoderenic acid B_TMS_49	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2032.06
Gas Chromatography	Ganoderenic acid B_TMS_50	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2203.27
Gas Chromatography	Ganoderenic acid B_TMS_51	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1683.6
Gas Chromatography	Ganoderenic acid B_TMS_52	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2107.99
Gas Chromatography	Ganoderenic acid B_TMS_53	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1349.39
Gas Chromatography	Ganoderenic acid B_TMS_54	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1656.6
Gas Chromatography	Ganoderenic acid B_TMS_55	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	1813.29
Gas Chromatography	Ganoderenic acid B_TMS_56	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2669.54
Gas Chromatography	Ganoderenic acid B_TMS_57	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2765.66
Gas Chromatography	Ganoderenic acid B_TMS_58	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1355.17
Gas Chromatography	Ganoderenic acid B_TMS_59	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1773.34
Gas Chromatography	Ganoderenic acid B_TMS_60	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard non polar	2025-10-23	2011.89
Gas Chromatography	Ganoderenic acid B_TMS_61	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1912.35
Gas Chromatography	Ganoderenic acid B_TMS_62	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1669.49
Gas Chromatography	Ganoderenic acid B_TMS_1	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1834.83
Gas Chromatography	Ganoderenic acid B_TMS_2	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1682.61
Gas Chromatography	Ganoderenic acid B_TMS_3	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1651.79
Gas Chromatography	Ganoderenic acid B_TMS_4	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1387.8
Gas Chromatography	Ganoderenic acid B_TMS_5	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2326.74
Gas Chromatography	Ganoderenic acid B_TMS_6	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2670.2
Gas Chromatography	Ganoderenic acid B_TMS_7	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1395.23
Gas Chromatography	Ganoderenic acid B_TMS_8	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2484.17
Gas Chromatography	Ganoderenic acid B_TMS_9	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	663.245
Gas Chromatography	Ganoderenic acid B_TMS_10	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2461.69
Gas Chromatography	Ganoderenic acid B_TMS_11	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2436.75
Gas Chromatography	Ganoderenic acid B_TMS_12	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1701.85
Gas Chromatography	Ganoderenic acid B_TMS_13	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	996.802
Gas Chromatography	Ganoderenic acid B_TMS_14	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1473.16
Gas Chromatography	Ganoderenic acid B_TMS_15	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1496.99
Gas Chromatography	Ganoderenic acid B_TMS_16	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1710.03
Gas Chromatography	Ganoderenic acid B_TMS_17	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1361.1
Gas Chromatography	Ganoderenic acid B_TMS_18	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	3062.08
Gas Chromatography	Ganoderenic acid B_TMS_19	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2394.09
Gas Chromatography	Ganoderenic acid B_TMS_20	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2976.25
Gas Chromatography	Ganoderenic acid B_TMS_21	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1554.73
Gas Chromatography	Ganoderenic acid B_TMS_22	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	3139.41
Gas Chromatography	Ganoderenic acid B_TMS_23	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2982.41
Gas Chromatography	Ganoderenic acid B_TMS_24	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1589.29
Gas Chromatography	Ganoderenic acid B_TMS_25	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2212.92
Gas Chromatography	Ganoderenic acid B_TMS_26	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	716.867
Gas Chromatography	Ganoderenic acid B_TMS_27	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	3378.67
Gas Chromatography	Ganoderenic acid B_TMS_28	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1576.35
Gas Chromatography	Ganoderenic acid B_TMS_29	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1733.31
Gas Chromatography	Ganoderenic acid B_TMS_30	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2677.63
Gas Chromatography	Ganoderenic acid B_TMS_31	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1561.62
Gas Chromatography	Ganoderenic acid B_TMS_32	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	966.727
Gas Chromatography	Ganoderenic acid B_TMS_33	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1032.24
Gas Chromatography	Ganoderenic acid B_TMS_34	C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1618.99
Gas Chromatography	Ganoderenic acid B_TMS_35	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1400.04
Gas Chromatography	Ganoderenic acid B_TMS_36	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1788.6
Gas Chromatography	Ganoderenic acid B_TMS_37	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2480.73
Gas Chromatography	Ganoderenic acid B_TMS_38	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1217.58
Gas Chromatography	Ganoderenic acid B_TMS_39	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	923.857
Gas Chromatography	Ganoderenic acid B_TMS_40	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2031.84
Gas Chromatography	Ganoderenic acid B_TMS_41	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1024.02
Gas Chromatography	Ganoderenic acid B_TMS_42	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2482.91
Gas Chromatography	Ganoderenic acid B_TMS_43	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2250.31
Gas Chromatography	Ganoderenic acid B_TMS_44	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2526.33
Gas Chromatography	Ganoderenic acid B_TMS_45	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2777.7
Gas Chromatography	Ganoderenic acid B_TMS_46	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	4322.6
Gas Chromatography	Ganoderenic acid B_TMS_47	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2117.45
Gas Chromatography	Ganoderenic acid B_TMS_48	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	3829.53
Gas Chromatography	Ganoderenic acid B_TMS_49	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2951.43
Gas Chromatography	Ganoderenic acid B_TMS_50	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1497.65
Gas Chromatography	Ganoderenic acid B_TMS_51	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1490.36
Gas Chromatography	Ganoderenic acid B_TMS_52	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1783.58
Gas Chromatography	Ganoderenic acid B_TMS_53	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	197.273
Gas Chromatography	Ganoderenic acid B_TMS_54	C/C(=C/C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1744.33
Gas Chromatography	Ganoderenic acid B_TMS_55	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	2137.57
Gas Chromatography	Ganoderenic acid B_TMS_56	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2024.84
Gas Chromatography	Ganoderenic acid B_TMS_57	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2651.87
Gas Chromatography	Ganoderenic acid B_TMS_58	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	92.7844
Gas Chromatography	Ganoderenic acid B_TMS_59	C/C(=C/C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1349.16
Gas Chromatography	Ganoderenic acid B_TMS_60	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O	standard polar	2025-10-23	1606.39
Gas Chromatography	Ganoderenic acid B_TMS_61	C/C(=C/C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	3027.25
Gas Chromatography	Ganoderenic acid B_TMS_62	C/C(=C/C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)C1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2453.62

Biological Properties

Cellular Locations

Extracellular
Membrane

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	Basidiomycota	4	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

C00030350

Chemspider ID

78445075

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139584158

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 Ganoderenic acid B (MMDBc0004543)

MOL for #<Metabolite:0x00007f2e382aab30>

3D MOL for #<Metabolite:0x00007f2e382aab30>

3D SDF for #<Metabolite:0x00007f2e382aab30>

3D-SDF for #<Metabolite:0x00007f2e382aab30>

PDB for #<Metabolite:0x00007f2e382aab30>

3D PDB for #<Metabolite:0x00007f2e382aab30>

SMILES for #<Metabolite:0x00007f2e382aab30>

INCHI for #<Metabolite:0x00007f2e382aab30>

Structure for #<Metabolite:0x00007f2e382aab30>

3D Structure for #<Metabolite:0x00007f2e382aab30>