CHEBI:28258 - vomifoliol

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ChEBI Name vomifoliol
ChEBI ID CHEBI:28258
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18464, CHEBI:69, CHEBI:11087
Supplier Information
Download Molfile XML SDF
Formula C13H20O3
Net Charge 0
Average Mass 224.29610
Monoisotopic Mass 224.14124
InChI InChI=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+
InChIKey KPQMCAKZRXOZLB-AATRIKPKSA-N
SMILES CC(O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing vomifoliol (CHEBI:28258) has role plant metabolite (CHEBI:76924)
vomifoliol (CHEBI:28258) is a fenchane monoterpenoid (CHEBI:36739)
Incoming (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 Sources
(+/-)-6-Hydroxy-3-oxo-alpha-ionol KEGG COMPOUND
(+/-)-6-hydroxy-3-oxo-alpha-ionol ChEBI
Vomifoliol KEGG COMPOUND
Manual Xref Database
C04166 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2331902 Beilstein Registry Number Beilstein
2331902 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24436000 PubMed citation Europe PMC
24949478 PubMed citation Europe PMC
25282893 PubMed citation Europe PMC
25918779 PubMed citation Europe PMC
Last Modified
26 May 2015