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CHEBI:142255 - Calenduloside B

ChEBI IDCHEBI:142255
ChEBI NameCalenduloside B
Stars
Last Modified19 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC48H78O18
Net Charge0
Average Mass943.134
Monoisotopic Mass942.51882
SMILESCC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
InChIInChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-36(58)33(55)31(53)25(20-50)62-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2,1-7H3
InChIKeyNAIMCEFAGOEXSH-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)
Calenduloside B (CHEBI:142255) is a triterpenoid saponin (CHEBI:61778)
Manual XrefsDatabases
HMDB0039413HMDB