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CHEBI:176263 - Maslinic acid 3-O-b-D-glucoside

ChEBI IDCHEBI:176263
ChEBI NameMaslinic acid 3-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O9
Net Charge0
Average Mass634.851
Monoisotopic Mass634.40808
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
InChIInChI=1S/C36H58O9/c1-31(2)12-14-36(30(42)43)15-13-34(6)19(20(36)16-31)8-9-24-33(5)17-21(38)28(32(3,4)23(33)10-11-35(24,34)7)45-29-27(41)26(40)25(39)22(18-37)44-29/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)
InChIKeyMCHSLZNQYJXEPC-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)
Maslinic acid 3-O-b-D-glucoside (CHEBI:176263) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
HMDB0029606HMDB