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CHEBI:205250 - Citrantifidiene

ChEBI IDCHEBI:205250
ChEBI NameCitrantifidiene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESCC(=O)O/C(=C/C=C(\CCO)OC(C)=O)CCO
InChIInChI=1S/C12H18O6/c1-9(15)17-11(5-7-13)3-4-12(6-8-14)18-10(2)16/h3-4,13-14H,5-8H2,1-2H3/b11-3+,12-4+
InChIKeyMQVWSGIISLSDHZ-HMMKTVFPSA-N
Species of MetaboliteComponentSourceComments
Trichoderma citrinoviride (ncbitaxon:58853) - PubMed (18435538)
ChEBI Ontology
Outgoing Relation(s)
Citrantifidiene (CHEBI:205250) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(3E,5E)-6-acetyloxy-1,8-dihydroxyocta-3,5-dien-3-yl] acetate
Manual XrefsDatabases
78434816ChemSpider