Marvin  09091309012D          

 24 27  0  0  0  0            999 V2000
    7.3582  -23.3108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1330  -23.7108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5497  -22.5689    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5622  -23.5275    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3536  -23.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7621  -23.2441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1455  -22.9440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9959  -23.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8956  -24.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790  -22.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1540  -22.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000  -22.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6495  -22.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8538  -22.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4160  -22.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790  -21.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4160  -21.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1369  -22.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7158  -22.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3497  -24.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5497  -21.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619  -23.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1455  -22.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767  -23.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  1  1  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 10  2  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  1  0  0  0
  6 22  1  6  0  0  0
  7  2  1  0  0  0  0
 12 10  1  0  0  0  0
  7 13  1  0  0  0  0
  2  5  1  6  0  0  0
  7 23  1  1  0  0  0
  4 24  1  6  0  0  0
M  END
> <ID>
CHEBI:68256

> <NAME>
platensic acid

> <DEFINITION>
A polycyclic cage attached to a 2-carboxyethyl side chain. It is isolated from Streptomyces platensis.

> <STAR>
3

> <IUPAC_NAME>
3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoic acid

> <FORMULA>
C17H22O4

> <MASS>
290.35420

> <MONOISOTOPIC_MASS>
290.15181

> <CHARGE>
0

> <SMILES>
[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(O)=O)[C@]31[H]

> <INCHI>
InChI=1S/C17H22O4/c1-15(5-4-13(19)20)12(18)3-6-17-8-10-7-11(14(15)17)21-16(10,2)9-17/h3,6,10-11,14H,4-5,7-9H2,1-2H3,(H,19,20)/t10-,11+,14+,15-,16+,17+/m1/s1

> <INCHIKEY>
RQCNJFMDDXEKEP-ZMKNGNPLSA-N

> <REAXYS_REGISTRY_NUMBER>
19006909

> <PUBMED_CITATION>
18393511; 19874023; 21214253

$$$$