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3-O-Methylcoumestrol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
coumestan
1 reference
based on heuristic
inferred from SMILES
mass
282.05282342
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₀O₅
0 references
canonical SMILES
O=C1OC2=CC(OC)=CC=C2C=3OC=4C=C(O)C=CC4C13
0 references
found in taxon
Medicago sativa
1 reference
stated in
New Alfalfa Compound Identified, Isolation of 4'-O-Methylcoumestrol from Alfalfa
Identifiers
InChI
InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3
0 references
InChIKey
YQBVKPREVBFWSA-UHFFFAOYSA-N
0 references
PubChem CID
131750884
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YQBVKPREVBFWSA-UHFFFAOYSA-N
ChEBI ID
174678
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3
UniChem compound ID
32017149
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0029584
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YQBVKPREVBFWSA-UHFFFAOYSA-N
KNApSAcK ID
C00061694
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YQBVKPREVBFWSA-UHFFFAOYSA-N
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