Marvin  01080813182D          

 25 28  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
    9.1949  -11.3764    0.0000 O   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
   12.7673   -9.3139    0.0000 C   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
  8  1  2  0  0  0  0
  8 21  1  0  0  0  0
  1 19  1  0  0  0  0
 19 23  2  0  0  0  0
 23 22  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 12  1  0  0  0  0
 10  2  1  0  0  0  0
 12  3  1  0  0  0  0
 14  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
 14  5  2  0  0  0  0
  4  6  2  0  0  0  0
 17  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
 17 16  2  0  0  0  0
  7 20  2  0  0  0  0
 20 16  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
> <ID>
CHEBI:32201

> <NAME>
tetracenomycin D1

> <STAR>
3

> <IUPAC_NAME>
1,3,8,11-tetrahydroxy-10-methyltetracene-5,12-dione

> <FORMULA>
C19H12O6

> <MASS>
336.29498

> <MONOISOTOPIC_MASS>
336.06339

> <CHARGE>
0

> <SMILES>
Cc1cc(O)cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12

> <INCHI>
InChI=1S/C19H12O6/c1-7-2-9(20)3-8-4-11-16(18(24)14(7)8)19(25)15-12(17(11)23)5-10(21)6-13(15)22/h2-6,20-22,24H,1H3

> <INCHIKEY>
RZKZJERAFMFNMF-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C12376

$$$$