MiMeDB: Showing metabocard for Xanthofulvin (MMDBc0005593)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-14 23:08:06 UTC

Update Date

2025-10-07 16:05:03 UTC

Metabolite ID

MMDBc0005593

Metabolite Identification

Common Name

Xanthofulvin

Description

Xanthofulvin is a semaphorin inhibitor belonging to the class of natural products derived from fungi. This metabolite, isolated from the cultured broth of the fungus Penicillium sp., has garnered attention for its potential therapeutic applications, particularly in autoimmune disorders. Preclinical research has demonstrated the efficacy of targeting semaphorins to reduce inflammation and disease severity, with xanthofulvin being highlighted alongside other inhibitors such as SM-345431 (PMID:39608445 ). Furthermore, studies have shown that xanthofulvin can influence the cellular orientation of rod photoreceptors, an effect that diminishes with its application (PMID:28806446 ). In the context of microbial screening, xanthofulvin was purified from over 9,000 broths and was found to inhibit enzymes EhCS1 and EhCS3 (PMID:26441896 ). Additionally, xanthofulvin has been involved in the synthesis of natural products that promote spinal cord regeneration (PMID:23086682 ). The tautomeric structure of this compound has been elucidated through spectroscopic analyses, providing insights into its chemical properties (PMID:14513903 ). Overall, xanthofulvin represents a promising candidate for further exploration in both biochemical and therapeutic contexts.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152101082D          

 42 46  0  0  0  0            999 V2000
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 21 11  2  0  0  0  0
 22 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 11  1  0  0  0  0
 23 17  1  0  0  0  0
 24 12  1  0  0  0  0
 24 19  2  0  0  0  0
 25 13  1  0  0  0  0
 25 20  2  0  0  0  0
 26 10  2  0  0  0  0
 26 16  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  1  0  0  0  0
 29  8  2  0  0  0  0
 30 12  1  0  0  0  0
 31 13  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  2  0  0  0  0
 34 23  2  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 37 27  2  0  0  0  0
 38 27  1  0  0  0  0
 39 28  2  0  0  0  0
 40 28  1  0  0  0  0
 41  6  1  0  0  0  0
 41 14  1  0  0  0  0
 42 15  1  0  0  0  0
 42 26  1  0  0  0  0
M  END


  Mrv1652305152101082D          

 42 46  0  0  0  0            999 V2000
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 21 11  2  0  0  0  0
 22 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 11  1  0  0  0  0
 23 17  1  0  0  0  0
 24 12  1  0  0  0  0
 24 19  2  0  0  0  0
 25 13  1  0  0  0  0
 25 20  2  0  0  0  0
 26 10  2  0  0  0  0
 26 16  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  1  0  0  0  0
 29  8  2  0  0  0  0
 30 12  1  0  0  0  0
 31 13  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  2  0  0  0  0
 34 23  2  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 37 27  2  0  0  0  0
 38 27  1  0  0  0  0
 39 28  2  0  0  0  0
 40 28  1  0  0  0  0
 41  6  1  0  0  0  0
 41 14  1  0  0  0  0
 42 15  1  0  0  0  0
 42 26  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0005593

> <DATABASE_NAME>
MIME

> <SMILES>
CC(=O)C1=C(C)C(=CC2=C1OC1=C(C2=O)C(C(O)=O)=C(O)C(O)=C1)C(\O)=C1/COC2=C(C1=O)C(C(O)=O)=C(O)C(O)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C28H18O14/c1-7-9(21(32)11-6-41-14-4-12(30)24(35)19(27(37)38)17(14)23(11)34)3-10-22(33)18-15(42-26(10)16(7)8(2)29)5-13(31)25(36)20(18)28(39)40/h3-5,30-32,35-36H,6H2,1-2H3,(H,37,38)(H,39,40)/b21-11-

> <INCHI_KEY>
VZJACTNXARYXEM-NHDPSOOVSA-N

> <FORMULA>
C28H18O14

> <MOLECULAR_WEIGHT>
578.438

> <EXACT_MASS>
578.06965526

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
54.690444295747184

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-acetyl-7-{[(3Z)-5-carboxy-6,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene](hydroxy)methyl}-2,3-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid

> <ALOGPS_LOGP>
2.11

> <JCHEM_LOGP>
3.0708313873333335

> <ALOGPS_LOGS>
-3.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
2.33995439911659

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.423137746645001

> <JCHEM_PKA_STRONGEST_BASIC>
-6.582102617734841

> <JCHEM_POLAR_SURFACE_AREA>
245.41999999999996

> <JCHEM_REFRACTIVITY>
141.7413

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.11e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-acetyl-7-{[(3Z)-5-carboxy-6,7-dihydroxy-4-oxo-2H-1-benzopyran-3-ylidene](hydroxy)methyl}-2,3-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic 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      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2    8                                                            
CONECT    3    9   10                                                       
CONECT    4   12   14                                                       
CONECT    5   13   15                                                       
CONECT    6   11   41                                                       
CONECT    7    1    9   16                                                  
CONECT    8    2   16   29                                                  
CONECT    9    3    7   21                                                  
CONECT   10    3   22   26                                                  
CONECT   11    6   21   23                                                  
CONECT   12    4   24   30                                                  
CONECT   13    5   25   31                                                  
CONECT   14    4   17   41                                                  
CONECT   15    5   18   42                                                  
CONECT   16    7    8   26                                                  
CONECT   17   14   19   23                                                  
CONECT   18   15   20   22                                                  
CONECT   19   17   24   27                                                  
CONECT   20   18   25   28                                                  
CONECT   21    9   11   32                                                  
CONECT   22   10   18   33                                                  
CONECT   23   11   17   34                                                  
CONECT   24   12   19   35                                                  
CONECT   25   13   20   36                                                  
CONECT   26   10   16   42                                                  
CONECT   27   19   37   38                                                  
CONECT   28   20   39   40                                                  
CONECT   29    8                                                            
CONECT   30   12                                                            
CONECT   31   13                                                            
CONECT   32   21                                                            
CONECT   33   22                                                            
CONECT   34   23                                                            
CONECT   35   24                                                            
CONECT   36   25                                                            
CONECT   37   27                                                            
CONECT   38   27                                                            
CONECT   39   28                                                            
CONECT   40   28                                                            
CONECT   41    6   14                                                       
CONECT   42   15   26                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

Synonyms

Not Available

Molecular Formula

C₂₈H₁₈O₁₄

Average Mass

578.438

Monoisotopic Mass

578.06965526

IUPAC Name

5-acetyl-7-{[(3Z)-5-carboxy-6,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene](hydroxy)methyl}-2,3-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid

Traditional Name

5-acetyl-7-{[(3Z)-5-carboxy-6,7-dihydroxy-4-oxo-2H-1-benzopyran-3-ylidene](hydroxy)methyl}-2,3-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(=O)C1=C(C)C(=CC2=C1OC1=C(C2=O)C(C(O)=O)=C(O)C(O)=C1)C(\O)=C1/COC2=C(C1=O)C(C(O)=O)=C(O)C(O)=C2

InChI Identifier

InChI=1S/C28H18O14/c1-7-9(21(32)11-6-41-14-4-12(30)24(35)19(27(37)38)17(14)23(11)34)3-10-22(33)18-15(42-26(10)16(7)8(2)29)5-13(31)25(36)20(18)28(39)40/h3-5,30-32,35-36H,6H2,1-2H3,(H,37,38)(H,39,40)/b21-11-

InChI Key

VZJACTNXARYXEM-NHDPSOOVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as homoisoflavonoids. These are naturally occurring oxygen heterocycles with a structure based on a 16-carbon skeleton including a chromanone, chromone or chromane system with a benzyl group at position C-3.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Homoisoflavonoids

Sub Class

Not Available

Direct Parent

Homoisoflavonoids

Alternative Parents

Substituents

Homoisoflavonoid
Xanthone
Dibenzopyran
Xanthene
Chromone
Chromane
Benzopyran
Hydroxybenzoic acid
Salicylic acid or derivatives
1-benzopyran
Acetophenone
Aryl alkyl ketone
Aryl ketone
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Alkyl aryl ether
Pyran
Benzenoid
Vinylogous acid
Heteroaromatic compound
Ketone
Organoheterocyclic compound
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Enol
Ether
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.11 g/L	ALOGPS
logP	2.11	ALOGPS
logP	3.07	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	1.42	ChemAxon
pKa (Strongest Basic)	-6.6	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	245.42 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	141.74 m³·mol⁻¹	ChemAxon
Polarizability	54.69 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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	49.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-23	45.2
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	496.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	746.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	535.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	172.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2218.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	89.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	468.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	206.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	89.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	127.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	104.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-23	416.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	515.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	89.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	381.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1883.6
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	865.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Xanthofulvin_TMS_1	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2790.11
Gas Chromatography	Xanthofulvin_TMS_2	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	3030.37
Gas Chromatography	Xanthofulvin_TMS_3	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	778.968
Gas Chromatography	Xanthofulvin_TMS_4	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	3950.36
Gas Chromatography	Xanthofulvin_TMS_5	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1452.22
Gas Chromatography	Xanthofulvin_TMS_6	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	3343.32
Gas Chromatography	Xanthofulvin_TMS_7	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	896.803
Gas Chromatography	Xanthofulvin_TMS_8	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	3129.18
Gas Chromatography	Xanthofulvin_TMS_9	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1667.53
Gas Chromatography	Xanthofulvin_TMS_10	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1950.42
Gas Chromatography	Xanthofulvin_TMS_11	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1608.49
Gas Chromatography	Xanthofulvin_TMS_12	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	3263.25
Gas Chromatography	Xanthofulvin_TMS_13	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1321.4
Gas Chromatography	Xanthofulvin_TMS_14	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1268.85
Gas Chromatography	Xanthofulvin_TMS_15	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1458.12
Gas Chromatography	Xanthofulvin_TMS_16	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	501.837
Gas Chromatography	Xanthofulvin_TMS_17	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	977.829
Gas Chromatography	Xanthofulvin_TMS_18	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	4098.36
Gas Chromatography	Xanthofulvin_TMS_19	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	3441.15
Gas Chromatography	Xanthofulvin_TMS_20	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2854.58
Gas Chromatography	Xanthofulvin_TMS_21	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2776.13
Gas Chromatography	Xanthofulvin_TMS_22	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	890.517
Gas Chromatography	Xanthofulvin_TMS_23	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	-8.43038
Gas Chromatography	Xanthofulvin_TMS_24	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	203.503
Gas Chromatography	Xanthofulvin_TMS_25	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1594.22
Gas Chromatography	Xanthofulvin_TMS_26	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2129.61
Gas Chromatography	Xanthofulvin_TMS_27	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2041.66
Gas Chromatography	Xanthofulvin_TMS_28	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2052.76
Gas Chromatography	Xanthofulvin_TMS_29	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2033.93
Gas Chromatography	Xanthofulvin_TMS_30	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	894.051
Gas Chromatography	Xanthofulvin_TMS_31	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	3193.21
Gas Chromatography	Xanthofulvin_TMS_32	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1658.59
Gas Chromatography	Xanthofulvin_TMS_33	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2349.64
Gas Chromatography	Xanthofulvin_TMS_34	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	-747.619
Gas Chromatography	Xanthofulvin_TMS_35	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1758.69
Gas Chromatography	Xanthofulvin_TMS_36	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2404.97
Gas Chromatography	Xanthofulvin_TMS_37	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2559.1
Gas Chromatography	Xanthofulvin_TMS_38	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2681.67
Gas Chromatography	Xanthofulvin_TMS_39	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1943.9
Gas Chromatography	Xanthofulvin_TMS_40	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2141.42
Gas Chromatography	Xanthofulvin_TMS_41	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1441.23
Gas Chromatography	Xanthofulvin_TMS_42	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1562.33
Gas Chromatography	Xanthofulvin_TMS_43	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1946.09
Gas Chromatography	Xanthofulvin_TMS_44	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2373.48
Gas Chromatography	Xanthofulvin_TMS_45	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1180.76
Gas Chromatography	Xanthofulvin_TMS_46	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1456.44
Gas Chromatography	Xanthofulvin_TMS_47	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2058.56
Gas Chromatography	Xanthofulvin_TMS_48	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	779.852
Gas Chromatography	Xanthofulvin_TMS_49	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1518.47
Gas Chromatography	Xanthofulvin_TMS_50	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	3680.59
Gas Chromatography	Xanthofulvin_TMS_51	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	133.882
Gas Chromatography	Xanthofulvin_TMS_52	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1219.46
Gas Chromatography	Xanthofulvin_TMS_53	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1932.21
Gas Chromatography	Xanthofulvin_TMS_54	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1637.51
Gas Chromatography	Xanthofulvin_TMS_55	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1567.01
Gas Chromatography	Xanthofulvin_TMS_56	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1732.28
Gas Chromatography	Xanthofulvin_TMS_57	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	321.522
Gas Chromatography	Xanthofulvin_TMS_58	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1642.12
Gas Chromatography	Xanthofulvin_TMS_59	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2408.43
Gas Chromatography	Xanthofulvin_TMS_60	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2406.55
Gas Chromatography	Xanthofulvin_TMS_61	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1081.13
Gas Chromatography	Xanthofulvin_TMS_62	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2447.52
Gas Chromatography	Xanthofulvin_TMS_63	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1125.55
Gas Chromatography	Xanthofulvin_TMS_64	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1025.87
Gas Chromatography	Xanthofulvin_TMS_65	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1761.75
Gas Chromatography	Xanthofulvin_TMS_66	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2451.11
Gas Chromatography	Xanthofulvin_TMS_67	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2655.32
Gas Chromatography	Xanthofulvin_TMS_68	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2712.11
Gas Chromatography	Xanthofulvin_TMS_69	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1786.49
Gas Chromatography	Xanthofulvin_TMS_70	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	250.038
Gas Chromatography	Xanthofulvin_TMS_71	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	3582.17
Gas Chromatography	Xanthofulvin_TMS_72	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2573.62
Gas Chromatography	Xanthofulvin_TMS_73	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1583.77
Gas Chromatography	Xanthofulvin_TMS_74	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1110.14
Gas Chromatography	Xanthofulvin_TMS_75	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	894.968
Gas Chromatography	Xanthofulvin_TMS_76	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1086.81
Gas Chromatography	Xanthofulvin_TMS_77	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1633.07
Gas Chromatography	Xanthofulvin_TMS_78	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2940.99
Gas Chromatography	Xanthofulvin_TMS_79	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2133.21
Gas Chromatography	Xanthofulvin_TMS_80	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2549.55
Gas Chromatography	Xanthofulvin_TMS_81	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1995.29
Gas Chromatography	Xanthofulvin_TMS_82	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	2221.93
Gas Chromatography	Xanthofulvin_TMS_83	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard non polar	2025-10-23	1327.7
Gas Chromatography	Xanthofulvin_TMS_84	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2137.72
Gas Chromatography	Xanthofulvin_TMS_85	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	574.945
Gas Chromatography	Xanthofulvin_TMS_86	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2056.52
Gas Chromatography	Xanthofulvin_TMS_87	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1457.81
Gas Chromatography	Xanthofulvin_TMS_88	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2603.5
Gas Chromatography	Xanthofulvin_TMS_89	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2720.77
Gas Chromatography	Xanthofulvin_TMS_90	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2182.19
Gas Chromatography	Xanthofulvin_TMS_91	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2247.21
Gas Chromatography	Xanthofulvin_TMS_92	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	513.562
Gas Chromatography	Xanthofulvin_TMS_93	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1096.38
Gas Chromatography	Xanthofulvin_TMS_94	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	3021.84
Gas Chromatography	Xanthofulvin_TMS_95	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	581.204
Gas Chromatography	Xanthofulvin_TMS_96	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	3035.15
Gas Chromatography	Xanthofulvin_TMS_97	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	2913.91
Gas Chromatography	Xanthofulvin_TMS_98	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard non polar	2025-10-23	1243.51
Gas Chromatography	Xanthofulvin_TMS_1	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1585.13
Gas Chromatography	Xanthofulvin_TMS_2	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2472.73
Gas Chromatography	Xanthofulvin_TMS_3	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2181.73
Gas Chromatography	Xanthofulvin_TMS_4	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2070.01
Gas Chromatography	Xanthofulvin_TMS_5	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2517.33
Gas Chromatography	Xanthofulvin_TMS_6	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1662.7
Gas Chromatography	Xanthofulvin_TMS_7	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1075.82
Gas Chromatography	Xanthofulvin_TMS_8	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3093.14
Gas Chromatography	Xanthofulvin_TMS_9	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3095.39
Gas Chromatography	Xanthofulvin_TMS_10	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1923.84
Gas Chromatography	Xanthofulvin_TMS_11	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3373.42
Gas Chromatography	Xanthofulvin_TMS_12	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1630.85
Gas Chromatography	Xanthofulvin_TMS_13	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2763.63
Gas Chromatography	Xanthofulvin_TMS_14	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2136.09
Gas Chromatography	Xanthofulvin_TMS_15	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3176.16
Gas Chromatography	Xanthofulvin_TMS_16	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1187.18
Gas Chromatography	Xanthofulvin_TMS_17	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1592.04
Gas Chromatography	Xanthofulvin_TMS_18	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1176.47
Gas Chromatography	Xanthofulvin_TMS_19	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2005.4
Gas Chromatography	Xanthofulvin_TMS_20	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2546.19
Gas Chromatography	Xanthofulvin_TMS_21	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1235.11
Gas Chromatography	Xanthofulvin_TMS_22	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	867.279
Gas Chromatography	Xanthofulvin_TMS_23	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3794.43
Gas Chromatography	Xanthofulvin_TMS_24	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3153.26
Gas Chromatography	Xanthofulvin_TMS_25	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1525.67
Gas Chromatography	Xanthofulvin_TMS_26	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1605.83
Gas Chromatography	Xanthofulvin_TMS_27	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	-154.204
Gas Chromatography	Xanthofulvin_TMS_28	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1158.92
Gas Chromatography	Xanthofulvin_TMS_29	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	901.73
Gas Chromatography	Xanthofulvin_TMS_30	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	945.997
Gas Chromatography	Xanthofulvin_TMS_31	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	815.764
Gas Chromatography	Xanthofulvin_TMS_32	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1263.66
Gas Chromatography	Xanthofulvin_TMS_33	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2738.55
Gas Chromatography	Xanthofulvin_TMS_34	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	91.4407
Gas Chromatography	Xanthofulvin_TMS_35	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	922.749
Gas Chromatography	Xanthofulvin_TMS_36	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2067.02
Gas Chromatography	Xanthofulvin_TMS_37	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1971.0
Gas Chromatography	Xanthofulvin_TMS_38	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1341.84
Gas Chromatography	Xanthofulvin_TMS_39	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3258.35
Gas Chromatography	Xanthofulvin_TMS_40	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2672.88
Gas Chromatography	Xanthofulvin_TMS_41	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2234.48
Gas Chromatography	Xanthofulvin_TMS_42	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2091.07
Gas Chromatography	Xanthofulvin_TMS_43	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1420.75
Gas Chromatography	Xanthofulvin_TMS_44	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1634.4
Gas Chromatography	Xanthofulvin_TMS_45	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	760.637
Gas Chromatography	Xanthofulvin_TMS_46	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2488.06
Gas Chromatography	Xanthofulvin_TMS_47	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3671.11
Gas Chromatography	Xanthofulvin_TMS_48	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2091.47
Gas Chromatography	Xanthofulvin_TMS_49	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2012.09
Gas Chromatography	Xanthofulvin_TMS_50	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3905.18
Gas Chromatography	Xanthofulvin_TMS_51	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1550.91
Gas Chromatography	Xanthofulvin_TMS_52	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1647.39
Gas Chromatography	Xanthofulvin_TMS_53	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2396.91
Gas Chromatography	Xanthofulvin_TMS_54	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1663.3
Gas Chromatography	Xanthofulvin_TMS_55	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2620.34
Gas Chromatography	Xanthofulvin_TMS_56	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1276.23
Gas Chromatography	Xanthofulvin_TMS_57	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	4070.32
Gas Chromatography	Xanthofulvin_TMS_58	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3875.28
Gas Chromatography	Xanthofulvin_TMS_59	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2652.94
Gas Chromatography	Xanthofulvin_TMS_60	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1390.54
Gas Chromatography	Xanthofulvin_TMS_61	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1441.32
Gas Chromatography	Xanthofulvin_TMS_62	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1781.37
Gas Chromatography	Xanthofulvin_TMS_63	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3224.01
Gas Chromatography	Xanthofulvin_TMS_64	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1443.37
Gas Chromatography	Xanthofulvin_TMS_65	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1732.28
Gas Chromatography	Xanthofulvin_TMS_66	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3829.68
Gas Chromatography	Xanthofulvin_TMS_67	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1634.61
Gas Chromatography	Xanthofulvin_TMS_68	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1537.53
Gas Chromatography	Xanthofulvin_TMS_69	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	615.236
Gas Chromatography	Xanthofulvin_TMS_70	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3289.63
Gas Chromatography	Xanthofulvin_TMS_71	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2770.95
Gas Chromatography	Xanthofulvin_TMS_72	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1107.62
Gas Chromatography	Xanthofulvin_TMS_73	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1443.88
Gas Chromatography	Xanthofulvin_TMS_74	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1127.88
Gas Chromatography	Xanthofulvin_TMS_75	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1050.38
Gas Chromatography	Xanthofulvin_TMS_76	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2058.04
Gas Chromatography	Xanthofulvin_TMS_77	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1865.29
Gas Chromatography	Xanthofulvin_TMS_78	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3561.02
Gas Chromatography	Xanthofulvin_TMS_79	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1224.0
Gas Chromatography	Xanthofulvin_TMS_80	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1985.48
Gas Chromatography	Xanthofulvin_TMS_81	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	3009.57
Gas Chromatography	Xanthofulvin_TMS_82	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	2202.24
Gas Chromatography	Xanthofulvin_TMS_83	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1C2=O	standard polar	2025-10-23	1208.52
Gas Chromatography	Xanthofulvin_TMS_84	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	4024.74
Gas Chromatography	Xanthofulvin_TMS_85	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2839.77
Gas Chromatography	Xanthofulvin_TMS_86	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3772.63
Gas Chromatography	Xanthofulvin_TMS_87	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3400.19
Gas Chromatography	Xanthofulvin_TMS_88	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2136.5
Gas Chromatography	Xanthofulvin_TMS_89	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2406.98
Gas Chromatography	Xanthofulvin_TMS_90	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1703.28
Gas Chromatography	Xanthofulvin_TMS_91	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1870.38
Gas Chromatography	Xanthofulvin_TMS_92	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3794.88
Gas Chromatography	Xanthofulvin_TMS_93	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3056.48
Gas Chromatography	Xanthofulvin_TMS_94	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2092.44
Gas Chromatography	Xanthofulvin_TMS_95	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2741.33
Gas Chromatography	Xanthofulvin_TMS_96	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	3226.73
Gas Chromatography	Xanthofulvin_TMS_97	CC(=O)C1=C(C)C(/C(O)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O[Si](C)(C)C)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	1475.79
Gas Chromatography	Xanthofulvin_TMS_98	CC(=O)C1=C(C)C(/C(O[Si](C)(C)C)=C2\COC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C3C2=O)=CC2=C1OC1=CC(O)=C(O)C(C(=O)O)=C1C2=O	standard polar	2025-10-23	2768.38

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	2	Human sputum; Human ; 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

C00014942

Chemspider ID

8070140

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9894470

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 Xanthofulvin (MMDBc0005593)

MOL for #<Metabolite:0x00007f2dde5757e8>

3D MOL for #<Metabolite:0x00007f2dde5757e8>

3D SDF for #<Metabolite:0x00007f2dde5757e8>

3D-SDF for #<Metabolite:0x00007f2dde5757e8>

PDB for #<Metabolite:0x00007f2dde5757e8>

3D PDB for #<Metabolite:0x00007f2dde5757e8>

SMILES for #<Metabolite:0x00007f2dde5757e8>

INCHI for #<Metabolite:0x00007f2dde5757e8>

Structure for #<Metabolite:0x00007f2dde5757e8>

3D Structure for #<Metabolite:0x00007f2dde5757e8>