CHEBI:79572 - 7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin

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ChEBI Name 7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin
ChEBI ID CHEBI:79572
Definition A hydroxycoumarin that is coumarin substituted by a methyl group at position 4, a hydroxy group at position 7 and a p-methoxyphenyl group at position 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H14O4
Net Charge 0
Average Mass 282.291
Monoisotopic Mass 282.08921
InChI InChI=1S/C17H14O4/c1-10-14-8-5-12(18)9-15(14)21-17(19)16(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3
InChIKey MJQHCKOMFMGCQG-UHFFFAOYSA-N
SMILES C=1(C=CC2=C(C1)OC(C(=C2C)C3=CC=C(C=C3)OC)=O)O
ChEBI Ontology
Outgoing 7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin (CHEBI:79572) has functional parent coumarin (CHEBI:28794)
7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin (CHEBI:79572) is a hydroxycoumarin (CHEBI:37912)
7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin (CHEBI:79572) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name
7-hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one
Manual Xref Database
C15052 KEGG COMPOUND
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Registry Number Type Source
253332 Reaxys Registry Number Reaxys
Last Modified
17 February 2017