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CHEBI:9718 - Trigonelloside C

ChEBI IDCHEBI:9718
ChEBI NameTrigonelloside C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC51H84O22
Net Charge0
Average Mass1049.211
Monoisotopic Mass1048.54542
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@](O)(CC[C@H](C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)[C@]12[H]
InChIInChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1
InChIKeyLVTJOONKWUXEFR-YFQJTNJMSA-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)
Trigonelloside C (CHEBI:9718) is a steroid saponin (CHEBI:61655)
Synonyms  Source
Asparasaponin IKEGG COMPOUND
Trigonelloside CKEGG COMPOUND
Manual XrefsDatabases
C00003596KNApSAcK
C08917KEGG COMPOUND
Registry NumbersSources
CAS:60478-69-5KEGG COMPOUND