CHEBI:180567 - 4-Chromanone

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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 4-Chromanone
ChEBI ID CHEBI:180567
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H8O2
Net Charge 0
Average Mass 148.161
Monoisotopic Mass 148.05243
InChI InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey MSTDXOZUKAQDRL-UHFFFAOYSA-N
SMILES O1CCC(=O)C=2C1=CC=CC2
Metabolite of Species Details
Tricholoma imbricatum (NCBI:txid54538) See: PubMed
Homo sapiens (NCBI:txid9606) Found in pancreas (BTO:0000988). of strain PANC-1 cell [BCGO:0000122] See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Chromanone (CHEBI:180567) is a chromones (CHEBI:23238)
IUPAC Names
2,3-dihydrochromen-4-one
methyl 3-[(2S)-7-hydroxy-2-methyl-4-oxo-3H-chromen-2-yl]propanoate
Manual Xref Database
61418 ChemSpider
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Registry Number Type Source
491-37-2 CAS Registry Number ChemIDplus