(S)-Angelicain (CHEBI:174776)

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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	(S)-Angelicain

ChEBI ID	CHEBI:174776

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

Submitter	MetaboLights

Supplier Information

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Formula

C15H16O6

Net Charge

Average Mass

292.287

Monoisotopic Mass

292.09469

InChI

InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3

InChIKey

FHCHSXPHLRBEBR-UHFFFAOYSA-N

SMILES

O1C(C(O)(C)C)CC2=C1C=C3OC(=CC(=O)C3=C2O)CO

ChEBI Ontology
Outgoing	(S)-Angelicain (CHEBI:174776) is a organic heterotricyclic compound (CHEBI:26979) (S)-Angelicain (CHEBI:174776) is a oxacycle (CHEBI:38104)

IUPAC Name

4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-5-one