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CHEBI:28258 - vomifoliol

ChEBI IDCHEBI:28258
ChEBI Namevomifoliol
Stars
DefinitionA fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4.
Secondary ChEBI IDsCHEBI:69, CHEBI:11087, CHEBI:18464
Last Modified26 May 2015
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESCC1=CC(=O)CC(C)(C)C1(O)/C=C/C(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+
InChIKeyKPQMCAKZRXOZLB-AATRIKPKSA-N
Roles Classification
Biological Role:
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)
vomifoliol (CHEBI:28258) has role plant metabolite (CHEBI:76924)
vomifoliol (CHEBI:28258) is a fenchane monoterpenoid (CHEBI:36739)
Incoming Relation(s)
(6R)-vomifoliol (CHEBI:49161) is a vomifoliol (CHEBI:28258)
(6S)-vomifoliol (CHEBI:49156) is a vomifoliol (CHEBI:28258)
IUPAC Name 
4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
Synonyms  Source
(+/-)-6-Hydroxy-3-oxo-alpha-ionolKEGG COMPOUND
(+/-)-6-hydroxy-3-oxo-alpha-ionolChEBI
VomifoliolKEGG COMPOUND
Manual XrefsDatabases
C04166KEGG COMPOUND
Registry NumbersSources
Beilstein:2331902Beilstein
Reaxys:2331902Reaxys
Citations