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> Main
CHEBI:133308 - 2,5,7-trihydroxy-4'-methoxyisoflavanone
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ChEBI Ontology
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ChEBI Name
2,5,7-trihydroxy-4'-methoxyisoflavanone
ChEBI ID
CHEBI:133308
Definition
A hydroxyisoflavanone bearing three hydroxy substituents at positions 2, 5 and 7 in addition to a methoxy substituent at position 4'.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C16H14O6
Net Charge
0
Average Mass
302.279
Monoisotopic Mass
302.07904
InChI
InChI=1S/C16H14O6/c1-
21-
10-
4-
2-
8(3-
5-
10)
13-
15(19)
14-
11(18)
6-
9(17)
7-
12(14)
22-
16(13)
20/h2-
7,13,16-
18,20H,1H3/t13-
,16-
/m1/s1
InChIKey
IIQJLBKXWGKSKE-CZUORRHYSA-N
SMILES
O1[C@@H](O)[C@@H](C(=O)C=2C1=CC(O)=CC2O)C3=CC=C(OC)C=C3
Metabolite of Species
Details
Glycine max
(NCBI:txid3847)
See:
MetaboLights Study
Glycine max
(NCBI:txid3847)
See:
PubMed
Glycine max
(NCBI:txid3847)
See:
MetaboLights Study
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
2,5,7-trihydroxy-4'-methoxyisoflavanone (
CHEBI:133308
)
has role
plant metabolite (
CHEBI:76924
)
2,5,7-trihydroxy-4'-methoxyisoflavanone (
CHEBI:133308
)
is a
hydroxyisoflavanone (
CHEBI:72739
)
2,5,7-trihydroxy-4'-methoxyisoflavanone (
CHEBI:133308
)
is a
lactol (
CHEBI:38131
)
2,5,7-trihydroxy-4'-methoxyisoflavanone (
CHEBI:133308
)
is a
methoxyisoflavanone (
CHEBI:72740
)
IUPAC Name
(2
R
,3
S
)-2,5,7-trihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4
H
-1-benzopyran-4-one
Manual Xref
Database
CPD-5421
MetaCyc
View more database links
Last Modified
17 February 2017