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CHEBI:186790 - Cyclotricuspidoside C

ChEBI IDCHEBI:186790
ChEBI NameCyclotricuspidoside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H72O17
Net Charge0
Average Mass861.032
Monoisotopic Mass860.47695
SMILESCC(CCC(O)(COC1OC(CO)C(O)C(O)C1O)C(C)C)C1C(O)CC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12C
InChIInChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3
InChIKeyJRBZRACFBGYSHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Cyclotricuspidoside C (CHEBI:186790) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4,6,14-trihydroxy-15-[5-hydroxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate
Manual XrefsDatabases
74886399ChemSpider
HMDB0033636HMDB