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CHEBI:186372 - Cappariloside B

ChEBI IDCHEBI:186372
ChEBI NameCappariloside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O11
Net Charge0
Average Mass496.469
Monoisotopic Mass496.16931
SMILESN#CCc1cnc2cccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c12
InChIInChI=1S/C22H28N2O11/c23-5-4-9-6-24-10-2-1-3-11(14(9)10)33-22-20(31)18(29)16(27)13(35-22)8-32-21-19(30)17(28)15(26)12(7-25)34-21/h1-3,6,12-13,15-22,24-31H,4,7-8H2/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
InChIKeyYWQNATCXFBWYHU-KWOKUELKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Cappariloside B (CHEBI:186372) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]acetonitrile
Manual XrefsDatabases
103884663ChemSpider