CHEBI:81175 - Akeboside Ste

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ChEBI Name Akeboside Ste
ChEBI ID CHEBI:81175
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C47H76O16
Net Charge 0
Average Mass 897.09670
Monoisotopic Mass 896.51334
InChI InChI=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
InChIKey PVIHUXKVGLMWEM-UYGRZQOISA-N
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)CO[C@H]3O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]54C)C(O)=O)C3(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Akeboside Ste (CHEBI:81175) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17548 KEGG COMPOUND
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