Aegelinol (CHEBI:167957)

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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	Aegelinol

ChEBI ID	CHEBI:167957

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O4

Net Charge

Average Mass

246.262

Monoisotopic Mass

246.08921

InChI

InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3

InChIKey

BGXFQDFSVDZUIW-UHFFFAOYSA-N

SMILES

O1C(C(O)CC2=C1C=C3OC(=O)C=CC3=C2)(C)C

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	Aegelinol (CHEBI:167957) is a coumarins (CHEBI:23403)

IUPAC Name

3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one