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CHEBI:231112 - solasodine 3-O-beta-D-glucopyranoside

ChEBI IDCHEBI:231112
ChEBI Namesolasodine 3-O-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54NO7
Net Charge+1
Average Mass576.795
Monoisotopic Mass576.38948
SMILESCC1CCC2([NH2+]C1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/p+1
InChIKeyXMLLJGHZPHTUKK-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
solasodine 3-O-beta-D-glucopyranoside (CHEBI:231112) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidin-1-ium]-16-yl)oxyoxane-3,4,5-triol