Mrv0541 11051315502D          

 24 26  0  0  0  0            999 V2000
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   -3.6543  -10.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2235  -10.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6428  -10.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 12  1  0  0  0  0
  2  3  1  0  0  0  0
 11 13  1  0  0  0  0
 13 12  2  0  0  0  0
  3  6  2  0  0  0  0
  1 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  1  0  0  0  0
  5  4  2  0  0  0  0
  2 16  1  0  0  0  0
  4  1  1  0  0  0  0
 10 17  1  0  0  0  0
  5 10  1  0  0  0  0
  7 18  1  1  0  0  0
  6  7  1  0  0  0  0
 18 19  2  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8  9  1  1  0  0  0
 20 21  1  0  0  0  0
 10  9  1  1  0  0  0
 12 22  1  0  0  0  0
  5  6  1  0  0  0  0
 22 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 24  2  0  0  0  0
M  END
> <ID>
CHEBI:67391

> <NAME>
pterolinus I

> <DEFINITION>
An organic heterotricyclic compound found in Pterocarpus santalinus.

> <STAR>
3

> <IUPAC_NAME>
rel-(5S,9R,10S)-2,5-dihydroxy-3,8,9-trimethoxy-10-vinyl-9,10-dihydro-5,9-methanobenzo[8]annulen-6(5H)-one

> <FORMULA>
C18H20O6

> <MASS>
332.34780

> <MONOISOTOPIC_MASS>
332.12599

> <CHARGE>
0

> <SMILES>
COc1cc2c(cc1O)[C@H](C=C)[C@@]1(C[C@@]2(O)C(=O)C=C1OC)OC

> <INCHI>
InChI=1S/C18H20O6/c1-5-11-10-6-13(19)14(22-2)7-12(10)17(21)9-18(11,24-4)16(23-3)8-15(17)20/h5-8,11,19,21H,1,9H2,2-4H3/t11-,17-,18+/m0/s1

> <INCHIKEY>
UVODXVDWVWOACM-FJNPEDAXSA-N

> <REAXYS_REGISTRY_NUMBER>
21548613

> <PUBMED_CITATION>
21488654

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