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CHEBI:81169 - Sibiricoside B

ChEBI IDCHEBI:81169
ChEBI NameSibiricoside B
Stars
DownloadsMolfile
FormulaC50H80O24
Net Charge0
Average Mass1065.166
Monoisotopic Mass1064.50395
SMILESCC1COC2(OC3CC4(O)C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1
InChIInChI=1S/C50H80O24/c1-19-11-30(55)50(66-17-19)20(2)31-26(74-50)13-49(64)24-6-5-21-12-22(7-9-47(21,3)23(24)8-10-48(31,49)4)67-44-39(63)36(60)40(29(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)27(14-51)68-45)41(34(58)28(15-52)69-46)72-43-37(61)32(56)25(54)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3
InChIKeyQURPLLAPNURGHG-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)
Sibiricoside B (CHEBI:81169) is a steroid saponin (CHEBI:61655)
Manual XrefsDatabases
C17537KEGG COMPOUND