Mrv0541 10031409282D          
 
 28 31  0  0  0  0            999 V2000
   14.6732   -9.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6664  -10.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -8.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9583   -8.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745  -10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9514  -10.4582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1032   -9.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3986   -7.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2399   -9.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9618   -7.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0894  -10.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3710  -11.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2365  -10.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8216   -8.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5249   -8.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7976  -10.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5249  -10.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5263   -9.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8354   -8.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8134   -9.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5283   -7.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5160  -10.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7872  -11.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8134  -10.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2240  -10.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0950  -10.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9460  -10.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3800  -10.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 18 22  2  0  0  0  0
 20 24  1  0  0  0  0
M  END
> <ID>
CHEBI:3096

> <NAME>
bikaverin

> <DEFINITION>
A organic heterotetracyclic compound that is 10H-benzo[b]xanthene-7,10,12-trione substituted by hydroxy groups at positions 6 and 11, methoxy groups at positions 3 and 8 and a methyl group at position 1.

> <STAR>
3

> <SYNONYM>
Lycopersin

> <IUPAC_NAME>
6,11-dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo[b]xanthene-7,10,12-trione

> <FORMULA>
C20H14O8

> <MASS>
382.32040

> <MONOISOTOPIC_MASS>
382.06887

> <CHARGE>
0

> <SMILES>
COC1=CC(=O)c2c(O)c3c(oc4cc(OC)cc(C)c4c3=O)c(O)c2C1=O

> <INCHI>
InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3

> <INCHIKEY>
ZOQMSOSJEWBMHP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
33390-21-5

> <REAXYS_REGISTRY_NUMBER>
358013

> <CHEMIDPLUS>
33390-21-5

> <KEGG_COMPOUND_ACCESSION>
C10306

> <KNAPSACK_ACCESSION>
C00002798

> <PUBMED_CITATION>
24183988; 24291181

$$$$