CHEBI:137384 - 3-acetylcoumarin

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ChEBI Name 3-acetylcoumarin ChEBI ID CHEBI:137384 Definition A member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:95250 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H8O3 Net Charge 0 Average Mass 188.180 Monoisotopic Mass 188.04734 InChI InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3 InChIKey CSPIFKKOBWYOEX-UHFFFAOYSA-N SMILES C12=CC=CC=C1C=C(C(O2)=O)C(=O)C ChEBI Ontology Outgoing 3-acetylcoumarin (CHEBI:137384) is a coumarins (CHEBI:23403) IUPAC Name 3-acetyl-2H-chromen-2-one Synonyms Sources 3-acetyl-2H-1-benzopyran-2-one IUPAC 3-acetylbenzopyran-2-one ChEBI 3-acetylchromen-2-one ChEBI Manual Xref Database LSM-6573 LINCS View more database links Registry Numbers Types Sources 143498 Reaxys Registry Number Reaxys 3949-36-8 CAS Registry Number ChemIDplus Citations Types Sources 17329161 PubMed citation Europe PMC 23501720 PubMed citation Europe PMC 26650190 PubMed citation Europe PMC 28166217 PubMed citation Europe PMC 7620834 PubMed citation Europe PMC Last Modified 02 July 2019