Marvin  01080814342D          

 27 30  0  0  1  0            999 V2000
    7.0516   -9.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9094   -9.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9094  -10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6239  -10.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383   -9.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383  -10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0528  -10.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660   -8.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660   -8.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1949   -8.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1949   -8.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1949  -10.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6239   -8.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6239   -8.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0528   -8.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0528   -8.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0516  -10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7673  -10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4805   -9.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4805  -10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660  -10.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371  -10.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4817  -10.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7673   -9.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4818   -8.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4818   -8.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1962   -9.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  8 19  1  0  0  0  0
  1 17  1  0  0  0  0
 17 21  2  0  0  0  0
 21 20  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 12  1  0  0  0  0
 10  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
 13  5  2  0  0  0  0
  4  6  2  0  0  0  0
 15  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 15 24  2  0  0  0  0
  7 18  2  0  0  0  0
 18 24  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 24 26  1  0  0  0  0
 26 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <ID>
CHEBI:32205

> <NAME>
tetracenomycin F1

> <DEFINITION>
A tetracenomycin that is 1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12.

> <STAR>
3

> <SYNONYM>
Tetracenomycin F1; Tcm F1

> <IUPAC_NAME>
3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid

> <FORMULA>
C20H14O7

> <MASS>
366.32096

> <MONOISOTOPIC_MASS>
366.07395

> <CHARGE>
0

> <SMILES>
Cc1c(C(O)=O)c(O)cc2cc3Cc4cc(O)cc(O)c4C(=O)c3c(O)c12

> <INCHI>
InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27)

> <INCHIKEY>
BJSNGVYBQJIGRT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
149791-45-7

> <REAXYS_REGISTRY_NUMBER>
8806831

> <CHEMIDPLUS>
149791-45-7

> <KEGG_COMPOUND_ACCESSION>
C12367

> <METACYC_ACCESSION>
CPD-14353

> <PUBMED_CITATION>
8218177; 8229013; 8244926; 8329392

$$$$