EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165792 - Epi-4'-hydroxyjasmonic acid

ChEBI IDCHEBI:165792
ChEBI NameEpi-4'-hydroxyjasmonic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCC(O)/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)O
InChIInChI=1S/C12H18O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h2-3,8-10,13H,4-7H2,1H3,(H,15,16)/b3-2-/t8?,9-,10+/m0/s1
InChIKeyKLPBEXRQJBKPDM-VFERKYTESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Epi-4'-hydroxyjasmonic acid (CHEBI:165792) has functional parent jasmonic acid (CHEBI:18292)
Epi-4'-hydroxyjasmonic acid (CHEBI:165792) is a Jasmonate derivatives (CHEBI:167055)
IUPAC Name 
2-[(1S,2R)-2-[(Z)-4-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
Manual XrefsDatabases
17220768ChemSpider
LMFA02020008LIPID MAPS