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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:15648 - (6a
R
,11a
R
)-3,9-dihydroxypterocarpan
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ChEBI Ontology
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ChEBI Name
(6a
R
,11a
R
)-3,9-dihydroxypterocarpan
ChEBI ID
CHEBI:15648
ChEBI ASCII Name
(6aR,11aR)-3,9-dihydroxypterocarpan
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10934, CHEBI:259, CHEBI:18599
Supplier Information
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Formula
C15H12O4
Net Charge
0
Average Mass
256.25338
Monoisotopic Mass
256.07356
InChI
InChI=1S/C15H12O4/c16-
8-
2-
4-
11-
13(5-
8)
18-
7-
12-
10-
3-
1-
9(17)
6-
14(10)
19-
15(11)
12/h1-
6,12,15-
17H,7H2/t12-
,15-
/m0/s1
InChIKey
ODMIEGVTNZNSLD-WFASDCNBSA-N
SMILES
[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc(O)ccc21
ChEBI Ontology
Outgoing
(6a
R
,11a
R
)-3,9-dihydroxypterocarpan (
CHEBI:15648
)
is a
pterocarpans (
CHEBI:26377
)
Incoming
erybraedin A (
CHEBI:65862
)
has functional parent
(6a
R
,11a
R
)-3,9-dihydroxypterocarpan (
CHEBI:15648
)
lespedezol D
1
(
CHEBI:132852
)
has functional parent
(6a
R
,11a
R
)-3,9-dihydroxypterocarpan (
CHEBI:15648
)
IUPAC Name
(6a
R
,11a
R
)-6a,11a-dihydro-6
H
-benzo[4,5]furo[3,2-
c
]chromene-3,9-diol
Synonyms
Sources
(6AR,11AR)-3,9-dihydroxypterocarpan
ChEBI
(6aR,11aR)-3,9-Dihydroxypterocarpan
KEGG COMPOUND
(6a
R
,11a
R
)-3,9-dihydroxypterocarpan
UniProt
(6aR-cis)-6a,11a-Dihydro-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol
ChemIDplus
Manual Xref
Database
C04271
KEGG COMPOUND
View more database links
Registry Number
Type
Source
61135-91-9
CAS Registry Number
ChemIDplus
Last Modified
17 August 2016