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CHEBI:223059 - Pestalotine B

ChEBI IDCHEBI:223059
ChEBI NamePestalotine B
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=CO[C@H]3OC(=O)C[C@H]32)O1
InChIInChI=1S/C14H14O7/c15-11-5-7-9(1-3-17-13(7)20-11)19-10-2-4-18-14-8(10)6-12(16)21-14/h1-4,7-10,13-14H,5-6H2/t7-,8-,9+,10+,13-,14-/m0/s1
InChIKeyJQSMULVYCAVOOF-STBHKTOQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies HC02 (ncbitaxon:479708) - PubMed (19035568)
ChEBI Ontology
Outgoing Relation(s)
Pestalotine B (CHEBI:223059) is a furopyran (CHEBI:74927)
IUPAC Name 
(3aS,4R,7aS)-4-[[(3aS,4R,7aS)-2-oxo-3,3a,4,7a-tetrahydrouro[2,3-b]pyran-4-yl]oxy]-3,3a,4,7a-tetrahydrouro[2,3-b]pyran-2-one
Manual XrefsDatabases
78442669ChemSpider