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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:9971 - (+)-vestitol
Main
ChEBI Ontology
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ChEBI Name
(+)-vestitol
ChEBI ID
CHEBI:9971
Definition
The
S
-enantiomer of vestitol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H16O4
Net Charge
0
Average Mass
272.29580
Monoisotopic Mass
272.10486
InChI
InChI=1S/C16H16O4/c1-
19-
13-
4-
5-
14(15(18)
8-
13)
11-
6-
10-
2-
3-
12(17)
7-
16(10)
20-
9-
11/h2-
5,7-
8,11,17-
18H,6,9H2,1H3/t11-
/m1/s1
InChIKey
XRVFNNUXNVWYTI-LLVKDONJSA-N
SMILES
COc1ccc([C@H]2COc3cc(O)ccc3C2)c(O)c1
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.
(via
vestitol
)
phytoalexin
A toxin made by a plant that acts against an organism attacking it.
(via
vestitol
)
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
(via
vestitol
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(+)-vestitol (
CHEBI:9971
)
has role
plant metabolite (
CHEBI:76924
)
(+)-vestitol (
CHEBI:9971
)
is a
vestitol (
CHEBI:69088
)
IUPAC Name
(3
S
)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2
H
-chromen-7-ol
Synonym
Source
(3
S
)-vestitol
LIPID MAPS
Manual Xrefs
Databases
C00002583
KNApSAcK
C10540
KEGG COMPOUND
LMPK12080026
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
20879-05-4
CAS Registry Number
KEGG COMPOUND
20879-05-4
CAS Registry Number
ChemIDplus
5093419
Reaxys Registry Number
Reaxys
Last Modified
28 July 2014