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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:7855 - oxyayanin B
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ChEBI Name
oxyayanin B
ChEBI ID
CHEBI:7855
Definition
A trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 6 and 3' and methoxy groups at positions 3, 7 and 4' respectively.
Stars
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-
10-
5-
4-
8(6-
9(10)
19)
17-
18(25-
3)
16(22)
13-
11(26-
17)
7-
12(24-
2)
14(20)
15(13)
21/h4-
7,19-
21H,1-
3H3
InChIKey
UQBUUCDVKDSHCE-UHFFFAOYSA-N
SMILES
COc1ccc(cc1O)-c1oc2cc(OC)c(O)c(O)c2c(=O)c1OC
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 B (
CHEBI:7855
)
has functional parent
flavone (
CHEBI:42491
)
oxyayanin B (
CHEBI:7855
)
has role
plant metabolite (
CHEBI:76924
)
oxyayanin B (
CHEBI:7855
)
is a
trihydroxyflavone (
CHEBI:27116
)
oxyayanin B (
CHEBI:7855
)
is a
trimethoxyflavone (
CHEBI:27124
)
IUPAC Name
5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4
H
-1-benzopyran-4-one
Synonym
Source
3',5,6-trihydroxy-3,4',7-trimethoxyflavone
ChEBI
Manual Xrefs
Databases
C00004696
KNApSAcK
C10116
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
352506
Reaxys Registry Number
Reaxys
548-74-3
CAS Registry Number
KEGG COMPOUND
Last Modified
05 June 2015