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CHEBI:200047 - Pestafolide A

ChEBI IDCHEBI:200047
ChEBI NamePestafolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC[C@H]1CCC[C@@]2(CC3=C(CO2)C(=O)[C@](C)(O)[C@@H](O)C3)O1
InChIInChI=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
InChIKeyBKSQJYOLLWNPIP-GGZSPTBLSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (18288805)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
23340872ChemSpider