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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:34707 - dihydrogenistein
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ChEBI Ontology
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ChEBI Name
dihydrogenistein
ChEBI ID
CHEBI:34707
Definition
A hydroxyisoflavanone comprising isoflavanone carrying three hydroxy substituents at positions 5, 7 and 4'.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H12O5
Net Charge
0
Average Mass
272.25280
Monoisotopic Mass
272.06847
InChI
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
InChIKey
UQGVUYNHDKMLSE-UHFFFAOYSA-N
SMILES
Oc1ccc(cc1)C1COc2cc(O)cc(O)c2C1=O
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dihydrogenistein (
CHEBI:34707
)
has role
bacterial metabolite (
CHEBI:76969
)
dihydrogenistein (
CHEBI:34707
)
is a
hydroxyisoflavanone (
CHEBI:72739
)
Incoming
dihydrogenistin (
CHEBI:133413
)
has functional parent
dihydrogenistein (
CHEBI:34707
)
IUPAC Name
5,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4
H
-chromen-4-one
Synonyms
Sources
2,3-dihydro-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
ChemIDplus
4',5,7-Trihydroxyisoflavan-4-one
KEGG COMPOUND
4',5,7-trihydroxyisoflavanone
HMDB
Manual Xrefs
Databases
C14458
KEGG COMPOUND
HMDB0005897
HMDB
View more database links
Registry Numbers
Types
Sources
21554-71-2
CAS Registry Number
ChemIDplus
288824
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10527518
PubMed citation
Europe PMC
15639088
PubMed citation
Europe PMC
21626023
PubMed citation
Europe PMC
22113864
PubMed citation
Europe PMC
22493748
PubMed citation
Europe PMC
22812014
PubMed citation
Europe PMC
23542626
PubMed citation
Europe PMC
24200780
PubMed citation
Europe PMC
Last Modified
28 February 2017