3-(hydroxymethyl)-1H-isochromen-1-one (CHEBI:168148)

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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	3-(hydroxymethyl)-1H-isochromen-1-one

ChEBI ID	CHEBI:168148

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

Submitter	MetaboLights

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Formula

C10H8O3

Net Charge

Average Mass

176.171

Monoisotopic Mass

176.04734

InChI

InChI=1S/C10H8O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-5,11H,6H2

InChIKey

DZISGMCWORFTOS-UHFFFAOYSA-N

SMILES

O1C(=CC=2C(=CC=CC2)C1=O)CO

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	3-(hydroxymethyl)-1H-isochromen-1-one (CHEBI:168148) is a isocoumarins (CHEBI:38758)

IUPAC Name

3-(hydroxymethyl)isochromen-1-one