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CHEBI:81175 - Akeboside Ste

Default Structure
ChEBI IDCHEBI:81175
ChEBI NameAkeboside Ste
Stars
DownloadsMolfile
FormulaC47H76O16
Net Charge0
Average Mass897.109
Monoisotopic Mass896.51334
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(60-22)59-21-26-32(51)34(53)36(55)39(61-26)63-37-31(50)25(48)20-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1
InChIKeyPVIHUXKVGLMWEM-UYGRZQOISA-N
ChEBI Ontology
Outgoing Relation(s)
Akeboside Ste (CHEBI:81175) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17548KEGG COMPOUND