7-hydroxy-3-(hydroxymethyl)-1H-isochromen-1-one (CHEBI:189981)

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

ChEBI ID	CHEBI:189981

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H8O4

Net Charge

Average Mass

192.170

Monoisotopic Mass

192.04226

InChI

InChI=1S/C10H8O4/c11-5-8-3-6-1-2-7(12)4-9(6)10(13)14-8/h1-4,11-12H,5H2

InChIKey

HCFGZEWOHLZFHH-UHFFFAOYSA-N

SMILES

O1C(=CC2=C(C=C(O)C=C2)C1=O)CO

Metabolite of Species	Details
marine plankton environmental sample (NCBI:txid632957)	Found in endometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	7-hydroxy-3-(hydroxymethyl)-1H-isochromen-1-one (CHEBI:189981) is a isocoumarins (CHEBI:38758)

IUPAC Name

7-hydroxy-3-(hydroxymethyl)isochromen-1-one