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InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:49158 - (6
S
,9
S
)-vomifoliol
Main
ChEBI Ontology
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ChEBI Name
(6
S
,9
S
)-vomifoliol
ChEBI ID
CHEBI:49158
ChEBI ASCII Name
(6S,9S)-vomifoliol
Stars
This entity has been manually annotated by the ChEBI Team.
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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+/m0/s1
InChIKey
KPQMCAKZRXOZLB-ZOLRFCATSA-N
SMILES
C[C@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
Roles Classification
Biological Role
(s):
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
S
)-vomifoliol (
CHEBI:49158
)
is a
(6
S
)-vomifoliol (
CHEBI:49156
)
(6
S
,9
S
)-vomifoliol (
CHEBI:49158
)
is enantiomer of
(6
R
,9
R
)-vomifoliol (
CHEBI:49162
)
Incoming
(6
R
,9
R
)-vomifoliol (
CHEBI:49162
)
is enantiomer of
(6
S
,9
S
)-vomifoliol (
CHEBI:49158
)
IUPAC Name
(4
S
)-
4-
hydroxy-
4-
[(1
E
,3
S
)-
3-
hydroxybut-
1-
en-
1-
yl]-
3,5,5-
trimethylcyclohex-
2-
en-
1-
one
Registry Number
Type
Source
2331903
Beilstein Registry Number
Beilstein
Last Modified
29 April 2008