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CHEBI:207812 - Aspinonediol

ChEBI IDCHEBI:207812
ChEBI NameAspinonediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O3
Net Charge0
Average Mass170.208
Monoisotopic Mass170.09429
SMILESCC(=O)/C=C/C(=C/[C@H](C)O)CO
InChIInChI=1S/C9H14O3/c1-7(11)3-4-9(6-10)5-8(2)12/h3-5,8,10,12H,6H2,1-2H3/b4-3+,9-5-/t8-/m0/s1
InChIKeyKZEYOZKGIDUZLU-QLNVLWNGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ostianus (ncbitaxon:138279) - PubMed (17994702)
ChEBI Ontology
Outgoing Relation(s)
Aspinonediol (CHEBI:207812) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3E,5Z,7S)-7-hydroxy-5-(hydroxymethyl)octa-3,5-dien-2-one
Manual XrefsDatabases
23076708ChemSpider