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9S,13R-12-OXOPHYTODIENOIC ACID


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Chemical Component Summary

Name9S,13R-12-OXOPHYTODIENOIC ACID
Identifiers8-[(1S,5R)-4-oxidanylidene-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
FormulaC18 H28 O3
Molecular Weight292.413
TypeNON-POLYMER
Isomeric SMILESCC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16+/m0/s1
InChIKeyPMTMAFAPLCGXGK-TTXFDSJOSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count2
Bond Count49
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 14037063
ChEMBL CHEMBL3120607