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CHEBI:190060 - Picraquassioside A

ChEBI IDCHEBI:190060
ChEBI NamePicraquassioside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O10
Net Charge0
Average Mass398.364
Monoisotopic Mass398.12130
SMILESCOc1c(CCC(=O)O)c(OC2OC(CO)C(O)C(O)C2O)cc2occc12
InChIInChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)
InChIKeyFQTKOEVCGAVVIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Picraquassioside A (CHEBI:190060) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-5-yl]propanoic acid
Manual XrefsDatabases
HMDB0041285HMDB