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(Q105212794)
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English
3'-Hydroxy-4'-methoxyglabridin
group of stereoisomers with the chemical formula C₂₁H₂₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
8C-prenylisoflavane
1 reference
inferred from
8C-prenylisoflavane
8C-substituted isoflavan
1 reference
inferred from
8C-substituted isoflavan
mass
354.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₅
0 references
canonical SMILES
OC=1C(OC)=CC=C(C1O)C2COC3=C4C=CC(OC4=CC=C3C2)(C)C
0 references
found in taxon
liquorice
2 references
stated in
Biosynthesis-Based Quantitative Analysis of 151 Secondary Metabolites of Licorice To Differentiate Medicinal Glycyrrhiza Species and Their Hybrids.
stated in
Isoflavan Derivatives from Glycyrrhiza glabra (Licorice)
Identifiers
InChI
InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3
0 references
InChIKey
PPBISUGOQDBBEL-UHFFFAOYSA-N
0 references
PubChem CID
10338211
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
175557
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3
UniChem compound ID
32015896
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034414
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PPBISUGOQDBBEL-UHFFFAOYSA-N
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