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CHEBI:145173 - 2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside

ChEBI IDCHEBI:145173
ChEBI Name2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside
Stars
Submittermwilliams
DownloadsMolfile
FormulaC33H54O12
Net Charge0
Average Mass642.783
Monoisotopic Mass642.36153
SMILES[H][C@]1([C@@](C)(O)[C@@H](CCC(C)(C)O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CCC2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C33H54O12/c1-29(2,41)9-8-24(45-28-27(40)26(39)25(38)22(15-34)44-28)32(5,42)23-7-11-33(43)17-12-19(35)18-13-20(36)21(37)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20+,21+,22+,23-,24+,25-,26-,27+,28+,30+,31+,32+,33?/m0/s1
InChIKeyOYLAWXRQIJWVHG-PRYDOBOQSA-N
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)
2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside (CHEBI:145173) is a steroid saponin (CHEBI:61655)
2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside (CHEBI:145173) is a α-D-galactoside (CHEBI:46953)
Synonym  Source
Silenoside ASUBMITTER