Pestalotiopyrone I (CHEBI:197917)

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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	Pestalotiopyrone I

ChEBI ID	CHEBI:197917

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O7

Net Charge

Average Mass

284.264

Monoisotopic Mass

284.08960

InChI

InChI=1S/C13H16O7/c1-8(3-12(16)19-7-9(15)6-14)11-4-10(18-2)5-13(17)20-11/h3-5,9,14-15H,6-7H2,1-2H3/b8-3+/t9-/m1/s1

InChIKey

YVVVJWFCPJGNFJ-QZGLAHODSA-N

SMILES

O=C1OC(/C(=C/C(=O)OC[C@H](O)CO)/C)=CC(=C1)OC

Metabolite of Species	Details
Pestalotiopsis virgatula (NCBI:txid290289)	See: DOI

ChEBI Ontology
Outgoing	Pestalotiopyrone I (CHEBI:197917) is a 1-monoglyceride (CHEBI:35759)

IUPAC Name

[(2R)-2,3-dihydroxypropyl] (E)-3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate