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CHEBI:9039 - Sarsasapogenin 3-O-4G-rhamnosylsophoroside

Default Structure
ChEBI IDCHEBI:9039
ChEBI NameSarsasapogenin 3-O-4G-rhamnosylsophoroside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC45H74O17
Net Charge0
Average Mass887.070
Monoisotopic Mass886.49260
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1
InChIKeyBCUDKRWNGQAFLF-PJFZGHSASA-N
ChEBI Ontology
Outgoing Relation(s)
Sarsasapogenin 3-O-4G-rhamnosylsophoroside (CHEBI:9039) is a triterpenoid (CHEBI:36615)
Synonym  Source
Sarsasapogenin 3-O-4G-rhamnosylsophorosideKEGG COMPOUND
Manual XrefsDatabases
C00003591KNApSAcK
C08912KEGG COMPOUND
Registry NumbersSources
CAS:84633-34-1KEGG COMPOUND