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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:49164 - (6
S
,9
R
)-vomifoliol
Main
ChEBI Ontology
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ChEBI Name
(6
S
,9
R
)-vomifoliol
ChEBI ID
CHEBI:49164
ChEBI ASCII Name
(6S,9R)-vomifoliol
Definition
A (6
S
)-vomifoliol with a
R
configuration for the hydroxy group at position 9.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:49157, CHEBI:10020
Supplier Information
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Molfile
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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+/t10-
,13-
/m1/s1
InChIKey
KPQMCAKZRXOZLB-KOIHBYQTSA-N
SMILES
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
Metabolite of Species
Details
Perrottetia multiflora
(IPNI:282530-2)
Found in aerial part
(BTO:0001658)
. See:
DOI
Brucea javanica
(NCBI:txid210348)
Found in seed
(BTO:0001226)
. See:
DOI
Solanum lyratum
(NCBI:txid230192)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Typha latifolia
(NCBI:txid4733)
See:
DOI
Roles Classification
Biological Role
(s):
phytotoxin
Any toxin produced by a plant.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
(6S)-vomifoliol
)
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
vomifoliol
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(6
S
,9
R
)-vomifoliol (
CHEBI:49164
)
has role
metabolite (
CHEBI:25212
)
(6
S
,9
R
)-vomifoliol (
CHEBI:49164
)
has role
phytotoxin (
CHEBI:38231
)
(6
S
,9
R
)-vomifoliol (
CHEBI:49164
)
is a
(6
S
)-vomifoliol (
CHEBI:49156
)
(6
S
,9
R
)-vomifoliol (
CHEBI:49164
)
is enantiomer of
(6
R
,9
S
)-vomifoliol (
CHEBI:49160
)
Incoming
(6
R
,9
S
)-vomifoliol (
CHEBI:49160
)
is enantiomer of
(6
S
,9
R
)-vomifoliol (
CHEBI:49164
)
IUPAC Name
(4
S
)-
4-
hydroxy-
4-
[(1
E
,3
R
)-
3-
hydroxybut-
1-
en-
1-
yl]-
3,5,5-
trimethylcyclohex-
2-
en-
1-
one
Synonyms
Sources
(4
S
)-
4-
hydroxy-
4-
[(1
E
,3
R
)-
3-
hydroxybut-
1-
enyl]-
3,5,5-
trimethylcyclohex-
2-
en-
1-
one
IUBMB
(6
S
,9
R
)-6-hydroxy-3-oxo-α-ionol
ChEBI
(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol
KEGG COMPOUND
(6
S
,9
R
)-vomifoliol
UniProt
Blumenol A
NIST Chemistry WebBook
Vomifoliol
KEGG COMPOUND
Manual Xrefs
Databases
--6-HYDROXY-3-OXO-ALPHA-IONOL
MetaCyc
C00029834
KNApSAcK
C01760
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1877674
Beilstein Registry Number
Beilstein
1877674
Reaxys Registry Number
Reaxys
23526-45-6
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
19336938
PubMed citation
Europe PMC
22364828
PubMed citation
Europe PMC
Last Modified
28 July 2014