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CHEBI:167961 - trans-EKODE-(E)-Ib

ChEBI IDCHEBI:167961
ChEBI Nametrans-EKODE-(E)-Ib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCCCCCC1OC1C=CC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)
InChIKeyRCMABBHQYMBYKV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
trans-EKODE-(E)-Ib (CHEBI:167961) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
9-oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid
Manual XrefsDatabases
21237991ChemSpider