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CHEBI:227713 - Pestalotiolide A

ChEBI IDCHEBI:227713
ChEBI NamePestalotiolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O10
Net Charge0
Average Mass412.391
Monoisotopic Mass412.13695
SMILESCOc1c(C)c2c(c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)c1C)C(=O)OC2
InChIInChI=1S/C19H24O10/c1-7-10-5-27-18(24)12(10)17(8(2)16(7)25-4)29-19-15(23)14(22)13(21)11(28-19)6-26-9(3)20/h11,13-15,19,21-23H,5-6H2,1-4H3/t11-,13-,14+,15-,19+/m1/s1
InChIKeyLHIQRGZOOWIZDN-DGQOTAAJSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.20307/nps.2015.21.4.227)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiolide A (CHEBI:227713) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6-methoxy-5,7-dimethyl-3-oxo-1H-2-benzouran-4-yl)oxy]oxan-2-yl]methyl acetate
Manual XrefsDatabases
44210896ChemSpider