MiMeDB: Showing metabocard for Griseorhodin C (MMDBc0010045)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:21:36 UTC

Update Date

2025-10-07 16:05:41 UTC

Metabolite ID

MMDBc0010045

Metabolite Identification

Common Name

Griseorhodin C

Description

Griseorhodin C is a hydroxyquinone compound classified as an antibiotic metabolite isolated from the genus Streptomyces. Recent studies have demonstrated its significant antimicrobial activity against Methicillin-resistant Staphylococcus aureus (MRSA), revealing its ability to inhibit bacterial growth through interference with multiple metabolic pathways, including amino acid biosynthesis, purine metabolism, and energy metabolism (PMID:39632874 ). Notably, Griseorhodin C exhibited superior inhibitory effects compared to the clinical standard vancomycin, both in vivo and in vitro, highlighting its potential as a promising candidate for new therapeutic strategies against MRSA infections (PMID:39632874 ). The compound's structure has been elucidated, confirming its classification within the griseorhodin antibiotic family (PMID:711621 ). Additionally, variants such as 8-Methoxygriseorhodin C have been identified, expanding the understanding of its chemical diversity (PMID:1761427 ). Furthermore, related compounds like 7,8-dideoxy-6-oxo-griseorhodin C have also been isolated, contributing to the ongoing exploration of this antibiotic's potential (PMID:9315079 ). Overall, Griseorhodin C represents a significant advancement in the search for effective treatments against resistant bacterial strains.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152104212D          

 38 43  0  0  0  0            999 V2000
    8.4772   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847   -0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6703   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718   -0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564   -0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0106    0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718   -1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2259    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6973   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5929    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086   -1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435    0.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6545    1.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -2.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541    1.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -1.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -2.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3539   -2.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -1.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156   -1.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904   -0.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028   -0.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  2  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  2  0  0  0  0
 30 18  1  0  0  0  0
 31 19  2  0  0  0  0
 32 22  1  0  0  0  0
 33 23  1  0  0  0  0
 34 24  2  0  0  0  0
 35  2  1  0  0  0  0
 35 10  1  0  0  0  0
 36  6  1  0  0  0  0
 36 24  1  0  0  0  0
 37 20  1  0  0  0  0
 37 25  1  0  0  0  0
 38 21  1  0  0  0  0
 38 25  1  0  0  0  0
M  END


  Mrv1652305152104212D          

 38 43  0  0  0  0            999 V2000
    8.4772   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847   -0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6703   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718   -0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564   -0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0106    0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718   -1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2259    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6973   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5929    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086   -1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435    0.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6545    1.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -2.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541    1.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -1.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -2.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3539   -2.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -1.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156   -1.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904   -0.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028   -0.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  2  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  2  0  0  0  0
 30 18  1  0  0  0  0
 31 19  2  0  0  0  0
 32 22  1  0  0  0  0
 33 23  1  0  0  0  0
 34 24  2  0  0  0  0
 35  2  1  0  0  0  0
 35 10  1  0  0  0  0
 36  6  1  0  0  0  0
 36 24  1  0  0  0  0
 37 20  1  0  0  0  0
 37 25  1  0  0  0  0
 38 21  1  0  0  0  0
 38 25  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0010045

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(OC3(OC4=C(C=C5C=C(C)OC(=O)C5=C4O)C(O)C3O)C1O)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H18O13/c1-6-3-7-4-8-15(27)23(33)25(37-20(8)18(30)11(7)24(34)36-6)22(32)14-17(29)12-9(26)5-10(35-2)16(28)13(12)19(31)21(14)38-25/h3-5,15,22-23,26-28,30,32-33H,1-2H3

> <INCHI_KEY>
LMOLESOWLGJSCK-UHFFFAOYSA-N

> <FORMULA>
C25H18O13

> <MOLECULAR_WEIGHT>
526.406

> <EXACT_MASS>
526.07474064

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
50.1329311112198

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

> <ALOGPS_LOGP>
1.49

> <JCHEM_LOGP>
1.9501511773333333

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.699446869857823

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.487774076960934

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4828531669004024

> <JCHEM_POLAR_SURFACE_AREA>
209.50999999999996

> <JCHEM_REFRACTIVITY>
126.26479999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-3',4'-dihydro-3H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

> <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      15.824  -0.899   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.753  -3.126   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.287  -0.075   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.750   0.748   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.465  -1.065   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.318  -1.219   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.781  -0.396   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.244   0.428   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.321  -0.034   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.144  -2.571   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.305  -1.861   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.144  -0.509   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.465  -2.015   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.753   0.046   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.213   1.572   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.321  -3.046   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.288   0.522   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.799  -2.181   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.930  -2.491   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.768  -1.037   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.074  -1.460   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.087   0.817   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.707   1.251   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.336  -3.005   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.231  -0.214   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.641   1.473   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       8.688   3.037   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.641  -4.553   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.968   2.028   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.324  -3.646   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       3.250  -3.997   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.247   2.348   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.080   2.658   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      11.861  -4.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.288  -3.602   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      13.842  -2.684   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       7.262  -1.358   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.605  -1.621   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2   35                                                            
CONECT    3    6    7                                                       
CONECT    4    7    8                                                       
CONECT    5    9   10                                                       
CONECT    6    1    3   36                                                  
CONECT    7    3    4   11                                                  
CONECT    8    4   15   20                                                  
CONECT    9    5   12   26                                                  
CONECT   10    5   16   35                                                  
CONECT   11    7   18   24                                                  
CONECT   12    9   13   17                                                  
CONECT   13   12   16   19                                                  
CONECT   14   17   21   22                                                  
CONECT   15    8   23   27                                                  
CONECT   16   10   13   28                                                  
CONECT   17   12   14   29                                                  
CONECT   18   11   20   30                                                  
CONECT   19   13   21   31                                                  
CONECT   20    8   18   37                                                  
CONECT   21   14   19   38                                                  
CONECT   22   14   25   32                                                  
CONECT   23   15   25   33                                                  
CONECT   24   11   34   36                                                  
CONECT   25   22   23   37   38                                             
CONECT   26    9                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   24                                                            
CONECT   35    2   10                                                       
CONECT   36    6   24                                                       
CONECT   37   20   25                                                       
CONECT   38   21   25                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

Synonyms

Not Available

Molecular Formula

C₂₅H₁₈O₁₃

Average Mass

526.406

Monoisotopic Mass

526.07474064

IUPAC Name

3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

Traditional Name

3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-3',4'-dihydro-3H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

CAS Registry Number

Not Available

SMILES

COC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(OC3(OC4=C(C=C5C=C(C)OC(=O)C5=C4O)C(O)C3O)C1O)C2=O

InChI Identifier

InChI=1S/C25H18O13/c1-6-3-7-4-8-15(27)23(33)25(37-20(8)18(30)11(7)24(34)36-6)22(32)14-17(29)12-9(26)5-10(35-2)16(28)13(12)19(31)21(14)38-25/h3-5,15,22-23,26-28,30,32-33H,1-2H3

InChI Key

LMOLESOWLGJSCK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranochromenes. These are organic heterocyclic compounds containing a pyran ring fused to a chromene (1-benzopyran) moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Pyranochromenes

Alternative Parents

Substituents

Pyranochromene
Naphthofuran
Naphthoquinone
Isocoumarin
2-benzopyran
Naphthalene
Aryl ketone
Quinone
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Ketal
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous ester
Vinylogous acid
Dihydrofuran
Secondary alcohol
Lactone
Ketone
Oxacycle
Polyol
Ether
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	2.47 g/L	ALOGPS
logP	1.49	ALOGPS
logP	1.95	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	8.49	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	209.51 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	126.26 m³·mol⁻¹	ChemAxon
Polarizability	50.13 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	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	86.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	33.7
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	475.2
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	666.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	489.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	201.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2388.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	179.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	706.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	203.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	182.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	147.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	94.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-23	365.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	600.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	76.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	391.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1918.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	842.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Griseorhodin C_TMS_1	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1749.91
Gas Chromatography	Griseorhodin C_TMS_2	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2466.21
Gas Chromatography	Griseorhodin C_TMS_3	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2112.71
Gas Chromatography	Griseorhodin C_TMS_4	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2948.7
Gas Chromatography	Griseorhodin C_TMS_5	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	1744.9
Gas Chromatography	Griseorhodin C_TMS_6	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	1800.83
Gas Chromatography	Griseorhodin C_TMS_7	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1951.93
Gas Chromatography	Griseorhodin C_TMS_8	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	386.514
Gas Chromatography	Griseorhodin C_TMS_9	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2022.98
Gas Chromatography	Griseorhodin C_TMS_10	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1142.54
Gas Chromatography	Griseorhodin C_TMS_11	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2024.42
Gas Chromatography	Griseorhodin C_TMS_12	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	1923.58
Gas Chromatography	Griseorhodin C_TMS_13	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2405.26
Gas Chromatography	Griseorhodin C_TMS_14	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	1953.38
Gas Chromatography	Griseorhodin C_TMS_15	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2279.07
Gas Chromatography	Griseorhodin C_TMS_16	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	1516.88
Gas Chromatography	Griseorhodin C_TMS_17	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2449.59
Gas Chromatography	Griseorhodin C_TMS_18	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	1183.02
Gas Chromatography	Griseorhodin C_TMS_19	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	1345.0
Gas Chromatography	Griseorhodin C_TMS_20	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	1809.89
Gas Chromatography	Griseorhodin C_TMS_21	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	2028.13
Gas Chromatography	Griseorhodin C_TMS_22	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1965.65
Gas Chromatography	Griseorhodin C_TMS_23	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	883.267
Gas Chromatography	Griseorhodin C_TMS_24	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2689.32
Gas Chromatography	Griseorhodin C_TMS_25	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1901.23
Gas Chromatography	Griseorhodin C_TMS_26	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1534.89
Gas Chromatography	Griseorhodin C_TMS_27	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1371.1
Gas Chromatography	Griseorhodin C_TMS_28	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	490.3
Gas Chromatography	Griseorhodin C_TMS_29	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1691.0
Gas Chromatography	Griseorhodin C_TMS_30	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1492.47
Gas Chromatography	Griseorhodin C_TMS_31	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1081.36
Gas Chromatography	Griseorhodin C_TMS_32	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	1469.95
Gas Chromatography	Griseorhodin C_TMS_33	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	1534.29
Gas Chromatography	Griseorhodin C_TMS_34	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	2465.19
Gas Chromatography	Griseorhodin C_TMS_35	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	883.606
Gas Chromatography	Griseorhodin C_TMS_36	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	1832.29
Gas Chromatography	Griseorhodin C_TMS_37	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2104.91
Gas Chromatography	Griseorhodin C_TMS_38	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	2581.3
Gas Chromatography	Griseorhodin C_TMS_39	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	716.288
Gas Chromatography	Griseorhodin C_TMS_40	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	2427.33
Gas Chromatography	Griseorhodin C_TMS_41	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	777.902
Gas Chromatography	Griseorhodin C_TMS_42	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2547.98
Gas Chromatography	Griseorhodin C_TMS_43	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1326.72
Gas Chromatography	Griseorhodin C_TMS_44	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1667.28
Gas Chromatography	Griseorhodin C_TMS_45	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1464.24
Gas Chromatography	Griseorhodin C_TMS_46	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	536.771
Gas Chromatography	Griseorhodin C_TMS_47	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2025.59
Gas Chromatography	Griseorhodin C_TMS_48	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1619.08
Gas Chromatography	Griseorhodin C_TMS_49	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	342.264
Gas Chromatography	Griseorhodin C_TMS_50	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2380.97
Gas Chromatography	Griseorhodin C_TMS_51	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2665.98
Gas Chromatography	Griseorhodin C_TMS_52	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	2099.47
Gas Chromatography	Griseorhodin C_TMS_53	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	2237.83
Gas Chromatography	Griseorhodin C_TMS_54	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	920.927
Gas Chromatography	Griseorhodin C_TMS_55	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard non polar	2025-10-23	1625.06
Gas Chromatography	Griseorhodin C_TMS_56	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	2953.0
Gas Chromatography	Griseorhodin C_TMS_57	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1440.5
Gas Chromatography	Griseorhodin C_TMS_58	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2581.8
Gas Chromatography	Griseorhodin C_TMS_59	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	213.575
Gas Chromatography	Griseorhodin C_TMS_60	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	514.584
Gas Chromatography	Griseorhodin C_TMS_61	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	768.952
Gas Chromatography	Griseorhodin C_TMS_62	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard non polar	2025-10-23	1508.64
Gas Chromatography	Griseorhodin C_TMS_1	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2656.57
Gas Chromatography	Griseorhodin C_TMS_2	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2617.07
Gas Chromatography	Griseorhodin C_TMS_3	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O	standard polar	2025-10-23	1832.7
Gas Chromatography	Griseorhodin C_TMS_4	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard polar	2025-10-23	1789.98
Gas Chromatography	Griseorhodin C_TMS_5	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2641.75
Gas Chromatography	Griseorhodin C_TMS_6	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	2345.48
Gas Chromatography	Griseorhodin C_TMS_7	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2801.16
Gas Chromatography	Griseorhodin C_TMS_8	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2392.75
Gas Chromatography	Griseorhodin C_TMS_9	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2693.91
Gas Chromatography	Griseorhodin C_TMS_10	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2296.73
Gas Chromatography	Griseorhodin C_TMS_11	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2843.76
Gas Chromatography	Griseorhodin C_TMS_12	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	1941.47
Gas Chromatography	Griseorhodin C_TMS_13	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O	standard polar	2025-10-23	3110.94
Gas Chromatography	Griseorhodin C_TMS_14	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2496.33
Gas Chromatography	Griseorhodin C_TMS_15	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2395.2
Gas Chromatography	Griseorhodin C_TMS_16	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	995.383
Gas Chromatography	Griseorhodin C_TMS_17	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2645.24
Gas Chromatography	Griseorhodin C_TMS_18	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	3167.21
Gas Chromatography	Griseorhodin C_TMS_19	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	3250.07
Gas Chromatography	Griseorhodin C_TMS_20	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2386.05
Gas Chromatography	Griseorhodin C_TMS_21	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	348.633
Gas Chromatography	Griseorhodin C_TMS_22	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2670.69
Gas Chromatography	Griseorhodin C_TMS_23	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1988.81
Gas Chromatography	Griseorhodin C_TMS_24	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3552.76
Gas Chromatography	Griseorhodin C_TMS_25	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2873.58
Gas Chromatography	Griseorhodin C_TMS_26	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3419.64
Gas Chromatography	Griseorhodin C_TMS_27	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1495.69
Gas Chromatography	Griseorhodin C_TMS_28	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	379.956
Gas Chromatography	Griseorhodin C_TMS_29	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1644.68
Gas Chromatography	Griseorhodin C_TMS_30	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1900.96
Gas Chromatography	Griseorhodin C_TMS_31	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2136.81
Gas Chromatography	Griseorhodin C_TMS_32	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	2192.63
Gas Chromatography	Griseorhodin C_TMS_33	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	996.918
Gas Chromatography	Griseorhodin C_TMS_34	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	1929.99
Gas Chromatography	Griseorhodin C_TMS_35	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O	standard polar	2025-10-23	1378.9
Gas Chromatography	Griseorhodin C_TMS_36	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	3303.4
Gas Chromatography	Griseorhodin C_TMS_37	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	1809.89
Gas Chromatography	Griseorhodin C_TMS_38	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	2198.05
Gas Chromatography	Griseorhodin C_TMS_39	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	2400.62
Gas Chromatography	Griseorhodin C_TMS_40	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2287.0
Gas Chromatography	Griseorhodin C_TMS_41	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	2337.78
Gas Chromatography	Griseorhodin C_TMS_42	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	4352.5
Gas Chromatography	Griseorhodin C_TMS_43	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3835.99
Gas Chromatography	Griseorhodin C_TMS_44	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1611.65
Gas Chromatography	Griseorhodin C_TMS_45	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2335.25
Gas Chromatography	Griseorhodin C_TMS_46	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	946.149
Gas Chromatography	Griseorhodin C_TMS_47	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1443.97
Gas Chromatography	Griseorhodin C_TMS_48	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1817.29
Gas Chromatography	Griseorhodin C_TMS_49	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	-278.804
Gas Chromatography	Griseorhodin C_TMS_50	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3277.26
Gas Chromatography	Griseorhodin C_TMS_51	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2406.79
Gas Chromatography	Griseorhodin C_TMS_52	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	3869.59
Gas Chromatography	Griseorhodin C_TMS_53	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	1809.97
Gas Chromatography	Griseorhodin C_TMS_54	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	2352.24
Gas Chromatography	Griseorhodin C_TMS_55	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O	standard polar	2025-10-23	2218.54
Gas Chromatography	Griseorhodin C_TMS_56	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	3276.64
Gas Chromatography	Griseorhodin C_TMS_57	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	634.398
Gas Chromatography	Griseorhodin C_TMS_58	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	796.145
Gas Chromatography	Griseorhodin C_TMS_59	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1288.8
Gas Chromatography	Griseorhodin C_TMS_60	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	944.991
Gas Chromatography	Griseorhodin C_TMS_61	COC1=CC(O)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2325.98
Gas Chromatography	Griseorhodin C_TMS_62	COC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4(OC5=C(C=C6C=C(C)OC(=O)C6=C5O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	standard polar	2025-10-23	3783.8

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
Bacteria/Eubacteria	Actinobacteria	1		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78444140

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162944336

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 Griseorhodin C (MMDBc0010045)

MOL for #<Metabolite:0x00007f9ab4d32650>

3D MOL for #<Metabolite:0x00007f9ab4d32650>

3D SDF for #<Metabolite:0x00007f9ab4d32650>

3D-SDF for #<Metabolite:0x00007f9ab4d32650>

PDB for #<Metabolite:0x00007f9ab4d32650>

3D PDB for #<Metabolite:0x00007f9ab4d32650>

SMILES for #<Metabolite:0x00007f9ab4d32650>

INCHI for #<Metabolite:0x00007f9ab4d32650>

Structure for #<Metabolite:0x00007f9ab4d32650>

3D Structure for #<Metabolite:0x00007f9ab4d32650>