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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:7854 - oxyayanin A
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ChEBI Name
oxyayanin A
ChEBI ID
CHEBI:7854
Definition
A trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 2' and 5' and methoxy groups at positions 3, 7 and 4' respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C18H16O8
Net Charge
0
Average Mass
360.31480
Monoisotopic Mass
360.08452
InChI
InChI=1S/C18H16O8/c1-
23-
8-
4-
12(21)
15-
14(5-
8)
26-
17(18(25-
3)
16(15)
22)
9-
6-
11(20)
13(24-
2)
7-
10(9)
19/h4-
7,19-
21H,1-
3H3
InChIKey
KGJTXYKKHKRNIM-UHFFFAOYSA-N
SMILES
COc1cc(O)c2c(c1)oc(-c1cc(O)c(OC)cc1O)c(OC)c2=O
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
oxyayanin A (
CHEBI:7854
)
has functional parent
flavone (
CHEBI:42491
)
oxyayanin A (
CHEBI:7854
)
has role
plant metabolite (
CHEBI:76924
)
oxyayanin A (
CHEBI:7854
)
is a
trihydroxyflavone (
CHEBI:27116
)
oxyayanin A (
CHEBI:7854
)
is a
trimethoxyflavone (
CHEBI:27124
)
IUPAC Name
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4
H
-1-benzopyran-4-one
Synonym
Source
5,2',5'-trihydroxy-3,7,4'-trimethoxyflavone
ChEBI
Manual Xrefs
Databases
C00001079
KNApSAcK
C10115
KEGG COMPOUND
LMPK12112516
LIPID MAPS
View more database links
Registry Number
Type
Source
549-17-7
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
10048707
PubMed citation
Europe PMC
Last Modified
05 June 2015