Celereoin (CHEBI:174450)

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ChEBI Ontology

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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	Celereoin

ChEBI ID	CHEBI:174450

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O5

Net Charge

Average Mass

262.261

Monoisotopic Mass

262.08412

InChI

InChI=1S/C14H14O5/c1-14(2,17)11-5-8-10(18-11)6-9-7(13(8)16)3-4-12(15)19-9/h3-4,6,11,16-17H,5H2,1-2H3

InChIKey

WCBFKVBQHXJRCX-UHFFFAOYSA-N

SMILES

O1C(C(O)(C)C)CC2=C1C=C3OC(=O)C=CC3=C2O

ChEBI Ontology
Outgoing	Celereoin (CHEBI:174450) is a psoralens (CHEBI:26369)

IUPAC Name

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