2'-Acetylangelicin (CHEBI:228984)

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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	2'-Acetylangelicin

ChEBI ID	CHEBI:228984

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H8O4

Net Charge

Average Mass

228.203

Monoisotopic Mass

228.04226

InChI

InChI=1S/C13H8O4/c1-7(14)11-6-9-10(16-11)4-2-8-3-5-12(15)17-13(8)9/h2-6H,1H3

InChIKey

FHBLDHGQJXHHPA-UHFFFAOYSA-N

SMILES

O1C2=C(C=3OC(=O)C=CC3C=C2)C=C1C(=O)C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	2'-Acetylangelicin (CHEBI:228984) is a furanocoumarin (CHEBI:24128)

IUPAC Name

8-acetyluro[2,3-h]chromen-2-one