CHEBI:81173 - Akeboside Stf

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ChEBI Name Akeboside Stf
ChEBI ID CHEBI:81173
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C47H76O17
Net Charge 0
Average Mass 913.09610
Monoisotopic Mass 912.50825
InChI InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(61-22)60-20-26-32(52)34(54)36(56)39(62-26)64-37-31(51)25(49)19-59-40(37)63-29-11-12-43(4)27(44(29,5)21-48)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKey BRIHTFKSRHIMNT-SUJUNPSQSA-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)[C@]3(C)CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Akeboside Stf (CHEBI:81173) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17546 KEGG COMPOUND
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