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CHEBI:234052 - 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside]

ChEBI IDCHEBI:234052
ChEBI Name2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside]
Stars
ASCII Name2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-O-[beta-D-glucosyl-(1->6)-beta-D-glucoside]
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC42H68O15
Net Charge0
Average Mass812.991
Monoisotopic Mass812.45582
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO
InChIInChI=1S/C42H68O15/c1-19-9-12-42(37(53)57-36-33(51)31(49)29(47)24(56-36)17-54-35-32(50)30(48)28(46)23(16-43)55-35)14-13-40(5)21(27(42)20(19)2)7-8-26-38(3)15-22(45)34(52)39(4,18-44)25(38)10-11-41(26,40)6/h7,19-20,22-36,43-52H,8-18H2,1-6H3/t19-,20+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35-,36+,38+,39+,40-,41-,42+/m1/s1
InChIKeyQRECZCMVJKJLJW-JNGPRRAUSA-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)
2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside] (CHEBI:234052) has functional parent asiatic acid (CHEBI:2873)
2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside] (CHEBI:234052) is a carboxylic ester (CHEBI:33308)
2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside] (CHEBI:234052) is a disaccharide derivative (CHEBI:63353)
2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside] (CHEBI:234052) is a glycosyl glycoside derivative (CHEBI:63356)
2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside] (CHEBI:234052) is a pentacyclic triterpenoid (CHEBI:25872)
2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside] (CHEBI:234052) is a triterpenoid saponin (CHEBI:61778)
UniProt Name  Source
asiatic acid 28-O-[β-D-glucosyl-(1→6)-β-D-glucoside]UniProt
Citations