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CHEBI:173311 - 28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide]

ChEBI IDCHEBI:173311
ChEBI Name28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H76O18
Net Charge0
Average Mass941.118
Monoisotopic Mass940.50317
SMILESCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-35(57)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-37(33(55)32(54)36(64-41)38(58)60-8)65-39-34(56)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3
InChIKeyUTOALNGAUDOJKI-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)
28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide] (CHEBI:173311) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
methyl 6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate
Manual XrefsDatabases
HMDB0039420HMDB