CHEBI:7800 - Osladin

ChEBI IDCHEBI:7800
ChEBI NameOsladin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC45H74O17
Net Charge0
Average Mass887.070
Monoisotopic Mass886.49260
SMILES[H][C@@]12CC(=O)[C@@]3([H])C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C([C@H](C)C3CC[C@@H](C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)O3)CC[C@@]21[H]
InChIInChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24?,25+,26+,27-,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-/m1/s1
InChIKeyQZOALWMSYRBZSA-XSAMIUIESA-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)
Osladin (CHEBI:7800) is a steroid saponin (CHEBI:61655)
Synonym  Source
OsladinKEGG COMPOUND
Manual XrefsDatabases
C08905KEGG COMPOUND
C00003583KNApSAcK
Registry NumbersSources
CAS:33650-66-7KEGG COMPOUND