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(Q104938294)
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English
3'-O-Methylequol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavane
0 references
mass
272.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R)-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₆O₄
0 references
canonical SMILES
OC1=CC=C2C(OCC(C3=CC=C(O)C(OC)=C3)C2)=C1
0 references
isomeric SMILES
COc1cc([C@H]2COc3cc(O)ccc3C2)ccc1O
0 references
found in taxon
Gliricidia sepium
1 reference
stated in
Isoflavonoids and a pterocarpan from Gliricidia sepium
Glycyrrhiza inflata
1 reference
stated in
Screening for bioactive natural products from a 67-compound library of Glycyrrhiza inflata
Identifiers
InChI
InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1
0 references
InChIKey
BMADVHDZKAZTNF-GFCCVEGCSA-N
0 references
PubChem CID
131753179
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BMADVHDZKAZTNF-GFCCVEGCSA-N
ChEBI ID
174585
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1
UniChem compound ID
31997031
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0041660
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BMADVHDZKAZTNF-GFCCVEGCSA-N
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