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CHEBI:49158 - (6S,9S)-vomifoliol

ChEBI IDCHEBI:49158
ChEBI Name(6S,9S)-vomifoliol
Stars
ASCII Name(6S,9S)-vomifoliol
Last Modified29 April 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O
InChIInChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13+/m0/s1
InChIKeyKPQMCAKZRXOZLB-ZOLRFCATSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(6S,9S)-vomifoliol (CHEBI:49158) is a (6S)-vomifoliol (CHEBI:49156)
(6S,9S)-vomifoliol (CHEBI:49158) is enantiomer of (6R,9R)-vomifoliol (CHEBI:49162)
Incoming Relation(s)
(6R,9R)-vomifoliol (CHEBI:49162) is enantiomer of (6S,9S)-vomifoliol (CHEBI:49158)
IUPAC Name 
(4S)-4-hydroxy-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
Registry NumbersSources
Beilstein:2331903Beilstein