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CHEBI:58194 - biochanin A(1−)
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ChEBI Name
biochanin A(1−)
ChEBI ID
CHEBI:58194
ChEBI ASCII Name
biochanin A(1-)
Definition
Conjugate base of biochanin A arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C16H11O5
Net Charge
-1
Average Mass
283.25550
Monoisotopic Mass
283.06120
InChI
InChI=1S/C16H12O5/c1-
20-
11-
4-
2-
9(3-
5-
11)
12-
8-
21-
14-
7-
10(17)
6-
13(18)
15(14)
16(12)
19/h2-
8,17-
18H,1H3/p-
1
InChIKey
WUADCCWRTIWANL-UHFFFAOYSA-M
SMILES
COc1ccc(cc1)-c1coc2cc([O-])cc(O)c2c1=O
ChEBI Ontology
Outgoing
biochanin A(1−) (
CHEBI:58194
)
is a
flavonoid oxoanion (
CHEBI:60038
)
biochanin A(1−) (
CHEBI:58194
)
is conjugate base of
biochanin A (
CHEBI:17574
)
Incoming
biochanin A (
CHEBI:17574
)
is conjugate acid of
biochanin A(1−) (
CHEBI:58194
)
IUPAC Name
5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4
H
-chromen-7-olate
Synonyms
Sources
biochanin A
UniProt
biochanin A anion
ChEBI
Last Modified
01 March 2018