Marvin  01080812082D          

 31 34  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
    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
   13.4817   -8.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4817   -8.9014    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
   14.1962   -9.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9107   -8.9014    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
    5.6226  -10.1389    0.0000 C   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
   14.1962  -10.1389    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
 30  1  2  0  0  0  0
 30 21  1  0  0  0  0
  1 17  1  0  0  0  0
 17 23  2  0  0  0  0
 23 22  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 10  1  0  0  0  0
  8  2  1  0  0  0  0
 10  3  1  0  0  0  0
 12  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
 12  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 14  2  0  0  0  0
  7 20  2  0  0  0  0
 20 14  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 17 26  1  0  0  0  0
 19 18  2  0  0  0  0
 19 24  1  0  0  0  0
 20 28  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <ID>
CHEBI:32197

> <NAME>
tetracenomycin A2

> <STAR>
3

> <SYNONYM>
Tetracenomycin A2; tetracenomycin A2; Tcm A2

> <IUPAC_NAME>
methyl 10,12-dihydroxy-3,8-dimethoxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylate

> <FORMULA>
C23H18O8

> <MASS>
422.38422

> <MONOISOTOPIC_MASS>
422.10017

> <CHARGE>
0

> <SMILES>
COC(=O)c1c(OC)cc2cc3C(=O)c4cc(OC)cc(O)c4C(=O)c3c(O)c2c1C

> <INCHI>
InChI=1S/C23H18O8/c1-9-16-10(6-15(30-3)17(9)23(28)31-4)5-12-19(21(16)26)22(27)18-13(20(12)25)7-11(29-2)8-14(18)24/h5-8,24,26H,1-4H3

> <INCHIKEY>
BXLGPMDGOMEFBX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5460638

> <CAS_REGISTRY_NUMBER>
82277-62-1

> <CHEMIDPLUS>
82277-62-1

> <KEGG_COMPOUND_ACCESSION>
C12371

$$$$