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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:85906 - (2
R
,3
S
)-2,7-dihydroxy-4'-methoxyisoflavanone
Main
ChEBI Ontology
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ChEBI Name
(2
R
,3
S
)-2,7-dihydroxy-4'-methoxyisoflavanone
ChEBI ID
CHEBI:85906
ChEBI ASCII Name
(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
Definition
A 2,7-dihydroxy-4'-methoxyisoflavanone in which positions 2 and 3 have
R
- and
S
-configuration respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C16H14O5
Net Charge
0
Average Mass
286.27940
Monoisotopic Mass
286.08412
InChI
InChI=1S/C16H14O5/c1-
20-
11-
5-
2-
9(3-
6-
11)
14-
15(18)
12-
7-
4-
10(17)
8-
13(12)
21-
16(14)
19/h2-
8,14,16-
17,19H,1H3/t14-
,16-
/m1/s1
InChIKey
PKQQPELXMZRYJY-GDBMZVCRSA-N
SMILES
COc1ccc(cc1)[C@H]1[C@H](O)Oc2cc(O)ccc2C1=O
ChEBI Ontology
Outgoing
(2
R
,3
S
)-2,7-dihydroxy-4'-methoxyisoflavanone (
CHEBI:85906
)
is a
2,7-dihydroxy-4'-methoxyisoflavanone (
CHEBI:62734
)
IUPAC Name
(2
R
,3
S
)-2,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4
H
-1-benzopyran-4-one
Synonym
Source
(2
R
,3
S
)-2,7-dihydroxy-4'-methoxyisoflavanone
UniProt
Manual Xref
Database
CPD-3502
MetaCyc
View more database links
Registry Number
Type
Source
10563880
Reaxys Registry Number
Reaxys
Last Modified
19 June 2015