Pestapyrone B (CHEBI:197547)

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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	Pestapyrone B

ChEBI ID	CHEBI:197547

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H10O6

Net Charge

Average Mass

238.195

Monoisotopic Mass

238.04774

InChI

InChI=1S/C11H10O6/c12-3-6-1-5-2-8(14)7(4-13)10(15)9(5)11(16)17-6/h1-2,12-15H,3-4H2

InChIKey

SQMRHUJCVRSXIU-UHFFFAOYSA-N

SMILES

O=C1OC(=CC=2C1=C(O)C(=C(O)C2)CO)CO

Metabolite of Species	Details
Neopestalotiopsis clavispora (NCBI:txid289240)	See: DOI

ChEBI Ontology
Outgoing	Pestapyrone B (CHEBI:197547) is a isocoumarins (CHEBI:38758)

IUPAC Name

6,8-dihydroxy-3,7-bis(hydroxymethyl)isochromen-1-one