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(Q72466604)
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English
7,2'-Dihydroxy-3',4'-dimethoxyisoflavan
chemical compound
(+/-)-2',7-Dihydroxy-3',4'-dimethoxyisoflavan
(+/-)-Isomucronulatol
3,4-Dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-1-benzopyran-7-ol
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavane
0 references
mass
302.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₈O₅
0 references
canonical SMILES
OC1=CC=C2C(OCC(C3=CC=C(OC)C(OC)=C3O)C2)=C1
0 references
found in taxon
Bladder senna
1 reference
stated in
Biosynthesis of the isoflavan isomucronulatol: Origin of the 2′,3′,4′-oxygenation pattern
Robinia pseudoacacia
1 reference
stated in
Bioactive flavonoids from the black locust tree, robinia pseudoacacia
Sphaerophysa salsula
1 reference
stated in
Stilbenes from Sphaerophysa salsula
Wisteria brachybotrys
1 reference
stated in
Anti-tumor promoting activities of isoflavonoids from Wistaria brachybotrys
Gliricidia sepium
1 reference
stated in
Isoflavene, isoflavan, and flavonoid constituents of Gliricidia speium
liquorice
1 reference
stated in
An isoflavan phytoalexin from leaves of Glycyrrhiza glabra
Identifiers
InChI
InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
0 references
InChIKey
NQRBAPDEZYMKFL-UHFFFAOYSA-N
0 references
CAS Registry Number
52250-35-8
0 references
PubChem CID
602152
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NQRBAPDEZYMKFL-UHFFFAOYSA-N
ChEBI ID
169277
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
UniChem compound ID
23171683
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30345153
1 reference
matched by identifier from
InChIKey
InChIKey
NQRBAPDEZYMKFL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80296227
0 references
Human Metabolome Database ID
HMDB0033189
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NQRBAPDEZYMKFL-UHFFFAOYSA-N
Probes And Drugs ID
PD127263
0 references
LIPID MAPS ID
LMPK12080033
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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