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CHEBI:201191 - Pestalotine A

ChEBI IDCHEBI:201191
ChEBI NamePestalotine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O7
Net Charge0
Average Mass294.259
Monoisotopic Mass294.07395
SMILESO=C1C[C@@H]2[C@@H](OC=C[C@H]2O[C@@H]2C=C[C@@H]3CC(=O)O[C@@H]3O2)O1
InChIInChI=1S/C14H14O7/c15-10-5-7-1-2-12(21-13(7)19-10)18-9-3-4-17-14-8(9)6-11(16)20-14/h1-4,7-9,12-14H,5-6H2/t7-,8+,9-,12+,13-,14+/m1/s1
InChIKeyVNPXVJGFPXCSBE-SHLVKXSWSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies HC02 (ncbitaxon:479708) - PubMed (19035568)
ChEBI Ontology
Outgoing Relation(s)
Pestalotine A (CHEBI:201191) is a furopyran (CHEBI:74927)
IUPAC Name 
(3aS,6S,7aS)-6-[[(3aS,4R,7aS)-2-oxo-3,3a,4,7a-tetrahydrouro[2,3-b]pyran-4-yl]oxy]-3,3a,6,7a-tetrahydrouro[2,3-b]pyran-2-one
Manual XrefsDatabases
28285713ChemSpider