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CHEBI:173198 - Kudzusaponin SA1

ChEBI IDCHEBI:173198
ChEBI NameKudzusaponin SA1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68O15
Net Charge0
Average Mass812.991
Monoisotopic Mass812.45582
SMILESCC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O
InChIInChI=1S/C42H68O15/c1-37(2)16-20-19-8-9-23-39(4)12-11-24(40(5,18-44)22(39)10-13-42(23,7)41(19,6)15-14-38(20,3)33(51)32(37)50)55-36-31(28(48)27(47)30(56-36)34(52)53)57-35-29(49)26(46)25(45)21(17-43)54-35/h8,20-33,35-36,43-51H,9-18H2,1-7H3,(H,52,53)
InChIKeyTWUOPSPDYDPTLF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
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)
Kudzusaponin SA1 (CHEBI:173198) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
6-[[9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-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-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041240HMDB