EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:10120 - Ziziphin

ChEBI IDCHEBI:10120
ChEBI NameZiziphin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC51H80O18
Net Charge0
Average Mass981.183
Monoisotopic Mass980.53447
SMILES[H][C@]12CC[C@@]3([H])[C@]4(CO[C@@]5(C4)O[C@@]([H])(C=C(C)C)C[C@](C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)[C@@]53[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3OC[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)40(64-26(5)52)35(55)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)67-43-38(58)36(56)30(20-60-43)66-44-39(59)37(57)34(54)24(3)62-44/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3/t24-,25-,28-,29+,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,47-,48+,49-,50-,51-/m0/s1
InChIKeySPFBVQWRJFUDBB-FYBFSNJASA-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)
Ziziphin (CHEBI:10120) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
ZiziphinKEGG COMPOUND
Manual XrefsDatabases
C08991KEGG COMPOUND
C00003561KNApSAcK
Registry NumbersSources
CAS:73667-51-3KEGG COMPOUND