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CHEBI:81172 - Chikusetsusaponin Ib

ChEBI IDCHEBI:81172
ChEBI NameChikusetsusaponin Ib
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DownloadsMolfile
FormulaC47H74O18
Net Charge0
Average Mass927.091
Monoisotopic Mass926.48752
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)OC7OC(O)C(O)C(O)C7CO)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
InChIInChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)22(23(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)61-40-33(55)30(52)34(62-39-32(54)29(51)24(20-49)60-39)35(63-40)37(57)65-38-21(19-48)28(50)31(53)36(56)64-38/h8,21,23-36,38-40,48-56H,9-20H2,1-7H3,(H,58,59)
InChIKeyHUSFIDYRQHYZEL-UHFFFAOYSA-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)
Chikusetsusaponin Ib (CHEBI:81172) is a triterpenoid saponin (CHEBI:61778)
Manual XrefsDatabases
C17545KEGG COMPOUND