EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3426 - Carnosifloside III

ChEBI IDCHEBI:3426
ChEBI NameCarnosifloside III
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC48H78O18
Net Charge0
Average Mass943.134
Monoisotopic Mass942.51882
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3([H])[C@]1(C)C(=O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CC/C=C(\C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C48H78O18/c1-22(20-61-42-40(59)38(57)35(54)29(65-42)21-62-43-39(58)36(55)33(52)27(18-49)63-43)9-8-10-23(2)24-15-16-46(5)30-13-11-25-26(48(30,7)31(51)17-47(24,46)6)12-14-32(45(25,3)4)66-44-41(60)37(56)34(53)28(19-50)64-44/h9,11,23-24,26-30,32-44,49-50,52-60H,8,10,12-21H2,1-7H3/b22-9+/t23-,24-,26-,27-,28-,29-,30+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44+,46+,47-,48+/m1/s1
InChIKeyUHWXBWBOPABGIG-XRSBSPCNSA-N
Roles Classification
Biological Role:
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
ChEBI Ontology
Outgoing Relation(s)
Carnosifloside III (CHEBI:3426) is a cucurbitacin (CHEBI:16219)
Carnosifloside III (CHEBI:3426) is a glycoside (CHEBI:24400)
Synonym  Source
Carnosifloside IIIKEGG COMPOUND
Manual XrefsDatabases
C08791KEGG COMPOUND
C00003680KNApSAcK
Registry NumbersSources
CAS:109985-92-4KEGG COMPOUND