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CHEBI:189219 - Ficiolide J

ChEBI IDCHEBI:189219
ChEBI NameFiciolide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O6
Net Charge0
Average Mass260.286
Monoisotopic Mass260.12599
SMILESCC(CC(=O)O)OC(=O)/C=C/[C@@H](O)CC[C@@H](C)O
InChIInChI=1S/C12H20O6/c1-8(13)3-4-10(14)5-6-12(17)18-9(2)7-11(15)16/h5-6,8-10,13-14H,3-4,7H2,1-2H3,(H,15,16)/b6-5+/t8-,9?,10+/m1/s1
InChIKeyWWSAOJSGUCQGDH-JLRIMJCNSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (27015125)
ChEBI Ontology
Outgoing Relation(s)
Ficiolide J (CHEBI:189219) is a aliphatic alcohol (CHEBI:2571)
IUPAC Names 
3-[(E,4S,7R)-4,7-dihydroxyoct-2-enoyl]oxybutanoic acid
3-[(4S,7R)-4,7-dihydroxyoct-2-enoyl]oxybutanoic acid
Manual XrefsDatabases
78441286ChemSpider