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> Main
CHEBI:28258 - vomifoliol
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ChEBI Ontology
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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 (1
E
)-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
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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
(6
R
)-vomifoliol (
CHEBI:49161
)
is a
vomifoliol (
CHEBI:28258
)
(6
S
)-vomifoliol (
CHEBI:49156
)
is a
vomifoliol (
CHEBI:28258
)
IUPAC Name
4-hydroxy-4-[(1
E
)-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
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