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CHEBI:199121 - Epiaspinonediol

ChEBI IDCHEBI:199121
ChEBI NameEpiaspinonediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O3
Net Charge0
Average Mass170.208
Monoisotopic Mass170.09429
SMILESCC(=O)C=CC(=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/t8-/m1/s1
InChIKeyKZEYOZKGIDUZLU-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24871461)
ChEBI Ontology
Outgoing Relation(s)
Epiaspinonediol (CHEBI:199121) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(7R)-7-hydroxy-5-(hydroxymethyl)octa-3,5-dien-2-one