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CHEBI:184618 - (3S,7R)-iso-jasmonic acid

ChEBI IDCHEBI:184618
ChEBI Name(3S,7R)-iso-jasmonic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)O
InChIInChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m0/s1
InChIKeyZNJFBWYDHIGLCU-RWCMCFKCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3S,7R)-iso-jasmonic acid (CHEBI:184618) has functional parent jasmonic acid (CHEBI:18292)
(3S,7R)-iso-jasmonic acid (CHEBI:184618) is a Jasmonate derivatives (CHEBI:167055)
(3S,7R)-iso-jasmonic acid (CHEBI:184618) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name 
2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
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