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CHEBI:55454 - genistein 4',7-disulfate
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ChEBI Name
genistein 4',7-disulfate
ChEBI ID
CHEBI:55454
Definition
A bisulfonated derivative of genistein.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C15H10O11S2
Net Charge
0
Average Mass
430.36300
Monoisotopic Mass
429.96645
InChI
InChI=1S/C15H10O11S2/c16-
12-
5-
10(26-
28(21,22)
23)
6-
13-
14(12)
15(17)
11(7-
24-
13)
8-
1-
3-
9(4-
2-
8)
25-
27(18,19)
20/h1-
7,16H,(H,18,19,20)
(H,21,22,23)
InChIKey
OIWNCXQGSYSVIR-UHFFFAOYSA-N
SMILES
Oc1cc(OS(O)(=O)=O)cc2occ(-c3ccc(OS(O)(=O)=O)cc3)c(=O)c12
ChEBI Ontology
Outgoing
genistein 4',7-disulfate (
CHEBI:55454
)
has functional parent
genistein (
CHEBI:28088
)
genistein 4',7-disulfate (
CHEBI:55454
)
is a
heterocyclyl sulfate (
CHEBI:37839
)
genistein 4',7-disulfate (
CHEBI:55454
)
is conjugate acid of
genistein 4',7-disulfate(2−) (
CHEBI:55453
)
Incoming
genistein 4',7-disulfate(2−) (
CHEBI:55453
)
is conjugate base of
genistein 4',7-disulfate (
CHEBI:55454
)
IUPAC Name
4-[5-hydroxy-4-oxo-7-(sulfooxy)-4
H
-chromen-3-yl]phenyl hydrogen sulfate
Last Modified
01 February 2010