4,6-dihydroxy-7-hydroxymethyl-3-methoxymethylcoumarin (CHEBI:202288)

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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	4,6-dihydroxy-7-hydroxymethyl-3-methoxymethylcoumarin

ChEBI ID	CHEBI:202288

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O6

Net Charge

Average Mass

252.222

Monoisotopic Mass

252.06339

InChI

InChI=1S/C12H12O6/c1-17-5-8-11(15)7-3-9(14)6(4-13)2-10(7)18-12(8)16/h2-3,13-15H,4-5H2,1H3

InChIKey

KYLWZDYTHCLQEZ-UHFFFAOYSA-N

SMILES

O=C1OC2=C(C=C(O)C(=C2)CO)C(=C1COC)O

Metabolite of Species	Details
Pestalotiopsis crassiuscula (NCBI:txid290287)	See: PubMed

ChEBI Ontology
Outgoing	4,6-dihydroxy-7-hydroxymethyl-3-methoxymethylcoumarin (CHEBI:202288) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

4,6-dihydroxy-7-(hydroxymethyl)-3-(methoxymethyl)chromen-2-one