CHEBI:169008 - 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one
ChEBI ID CHEBI:169008
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H12O3
Net Charge 0
Average Mass 204.225
Monoisotopic Mass 204.07864
InChI InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
InChIKey NKRISXMDKXBVRJ-UHFFFAOYSA-N
SMILES O1C2=C(C(=CC1=O)C)C=CC(OCC)=C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one (CHEBI:169008) is a coumarins (CHEBI:23403)
IUPAC Name
7-ethoxy-4-methylchromen-2-one
Manual Xrefs Databases
59963 ChemSpider
HMDB0035095 HMDB
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Registry Number Type Source
87-05-8 CAS Registry Number ChemIDplus