Pestafolide A (CHEBI:200047)

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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	Pestafolide A

ChEBI ID	CHEBI:200047

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O5

Net Charge

Average Mass

282.336

Monoisotopic Mass

282.14672

InChI

InChI=1S/C15H22O5/c1-9-4-3-5-15(20-9)7-10-6-12(16)14(2,18)13(17)11(10)8-19-15/h9,12,16,18H,3-8H2,1-2H3/t9-,12-,14+,15-/m0/s1

InChIKey

BKSQJYOLLWNPIP-GGZSPTBLSA-N

SMILES

O=C1C2=C(C[C@]3(O[C@H](CCC3)C)OC2)C[C@@H]([C@]1(O)C)O

Metabolite of Species	Details
Pestalotiopsis (NCBI:txid37840)	See: PubMed

Roles Classification
Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. (via azaphilone )

ChEBI Ontology
Outgoing	Pestafolide A (CHEBI:200047) is a azaphilone (CHEBI:50941)

IUPAC Name

(3S,6S,6'S,7R)-6,7-dihydroxy-6',7-dimethylspiro[1,4,5,6-tetrahydroisochromene-3,2'-oxane]-8-one