Marvin  10221214412D          

 25 28  0  0  0  0            999 V2000
   -4.5489    0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5501   -0.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8421   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8439    1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355    0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1320   -0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198   -0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4265    1.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7097    0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9893   -0.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2755   -0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2782    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332    1.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2891    2.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091    1.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188   -1.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    1.9111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436   -1.3727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7195    2.3353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126    1.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251    0.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  1  2  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9  8  1  0  0  0  0
  7 19  2  0  0  0  0
  9 10  2  0  0  0  0
  8 20  2  0  0  0  0
  5  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  1  1  0  0  0  0
 16 22  1  0  0  0  0
  5  6  1  0  0  0  0
 18 23  2  0  0  0  0
 13 24  1  0  0  0  0
  9 13  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <ID>
CHEBI:66807

> <NAME>
ochracenomicin A

> <DEFINITION>
An angucycline antibiotic that is 3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 4a, 8 and 12b and a methyl group at position 3. It is isolated from the culture broth of Amycolatopsis sp.MJ950-89F4 and exhibits a broad spectrum of antibacterial potential.

> <STAR>
3

> <SYNONYM>
4a,8,12b-trihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione

> <IUPAC_NAME>
4a,8,12b-trihydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione

> <FORMULA>
C19H16O6

> <MASS>
340.32670

> <MONOISOTOPIC_MASS>
340.09469

> <CHARGE>
0

> <SMILES>
CC1CC(=O)C2(O)C3=C(C=CC2(O)C1)C(=O)c1c(O)cccc1C3=O

> <INCHI>
InChI=1S/C19H16O6/c1-9-7-13(21)19(25)15-11(5-6-18(19,24)8-9)16(22)14-10(17(15)23)3-2-4-12(14)20/h2-6,9,20,24-25H,7-8H2,1H3

> <INCHIKEY>
HRKDTQUJICJRIH-UHFFFAOYSA-N

> <PUBMED_CITATION>
7775274

$$$$