Marvin  09091310012D          

 24 26  0  0  0  0            999 V2000
   33.3385  -22.8357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6634  -23.1316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6842  -22.1522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   34.0678  -23.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0301  -23.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7632  -23.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9632  -23.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4298  -22.9232    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.9176  -22.4731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   33.4761  -21.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0762  -22.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8549  -22.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9632  -21.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5546  -21.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3006  -24.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4802  -20.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5505  -21.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2548  -22.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0887  -21.6354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6551  -21.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8295  -22.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1043  -21.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5921  -22.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3779  -23.5441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  1  4  1  6  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14 18  1  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
  9 19  1  1  0  0  0
  3 20  1  1  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
  8 23  1  6  0  0  0
 12  8  1  0  0  0  0
 11 10  1  0  0  0  0
  6  8  1  0  0  0  0
  2 24  1  6  0  0  0
M  END
> <ID>
CHEBI:68260

> <NAME>
13-hydroxyplatencinic acid methyl ester

> <DEFINITION>
A polycyclic cage with a 3-methoxy-3-oxopropyl side chain. It is isolated from Streptomyces platensis.

> <STAR>
3

> <IUPAC_NAME>
methyl 3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoate

> <FORMULA>
C18H24O4

> <MASS>
304.38080

> <MONOISOTOPIC_MASS>
304.16746

> <CHARGE>
0

> <SMILES>
[H][C@@]12C[C@@H](O)[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)OC)[C@]3([H])C2

> <INCHI>
InChI=1S/C18H24O4/c1-11-10-18-7-4-14(19)17(2,6-5-16(21)22-3)13(18)8-12(11)9-15(18)20/h4,7,12-13,15,20H,1,5-6,8-10H2,2-3H3/t12-,13+,15-,17+,18+/m1/s1

> <INCHIKEY>
SFPJDANZIPLSTD-ASZYTAPTSA-N

> <PUBMED_CITATION>
21214253

$$$$