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CHEBI:44552 - 9R,13R-12-OXOPHYTODIENOIC ACID

Default Structure
ChEBI IDCHEBI:44552
ChEBI Name9R,13R-12-OXOPHYTODIENOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H28O3
Net Charge0
Average Mass292.419
Monoisotopic Mass292.20384
SMILES[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])=C([H])C(=O)[C@]1([H])C([H])([H])/C([H])=C(\[H])C([H])([H])C([H])([H])[H]
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-/m1/s1
InChIKeyPMTMAFAPLCGXGK-SULOOQPXSA-N
ChEBI Ontology
Outgoing Relation(s)
9R,13R-12-OXOPHYTODIENOIC ACID (CHEBI:44552) is a unclassifieds (CHEBI:27189)
Synonyms  Source
8-[(1R,5R)-4-oxo-5-pent-2-en-1-ylcyclopent-2-en-1-yl]octanoic acidPDBeChem
9R,13R-12-OXOPHYTODIENOIC ACIDPDBeChem
Manual XrefsDatabases
OPDPDBeChem