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CHEBI:210896 - Epicitreodiol

ChEBI IDCHEBI:210896
ChEBI NameEpicitreodiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O4
Net Charge0
Average Mass214.261
Monoisotopic Mass214.12051
SMILESCOC(=O)/C(C)=C/C=C/[C@@](C)(O)[C@H](C)O
InChIInChI=1S/C11H18O4/c1-8(10(13)15-4)6-5-7-11(3,14)9(2)12/h5-7,9,12,14H,1-4H3/b7-5+,8-6+/t9-,11+/m0/s1
InChIKeyVRPFJYGFBAJGLE-FXKUYJBWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(01)81515-x)
ChEBI Ontology
Outgoing Relation(s)
Epicitreodiol (CHEBI:210896) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (2E,4E,6R,7S)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
Manual XrefsDatabases
78436190ChemSpider