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CHEBI:2898 - Astrasieversianin XVI

ChEBI IDCHEBI:2898
ChEBI NameAstrasieversianin XVI
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC47H78O18
Net Charge0
Average Mass931.123
Monoisotopic Mass930.51882
SMILES[H][C@@]12C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]3([H])C(C)(C)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@@]34C[C@@]14CC[C@@]1(C)[C@@]2(C)C[C@H](O)[C@]1([H])[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChIInChI=1S/C47H78O18/c1-20-28(51)31(54)33(56)38(60-20)64-35-29(52)22(50)18-59-40(35)63-26-10-12-47-19-46(47)14-13-43(6)36(45(8)11-9-27(65-45)42(4,5)58)21(49)16-44(43,7)25(46)15-23(37(47)41(26,2)3)61-39-34(57)32(55)30(53)24(17-48)62-39/h20-40,48-58H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39+,40-,43+,44-,45+,46-,47+/m0/s1
InChIKeyOHYHOQFXLXSVIP-SOMZREBESA-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)
Astrasieversianin XVI (CHEBI:2898) is a cucurbitacin (CHEBI:16219)
Astrasieversianin XVI (CHEBI:2898) is a glycoside (CHEBI:24400)
Synonym  Source
Astrasieversianin XVIKEGG COMPOUND
Manual XrefsDatabases
C08925KEGG COMPOUND
C00003501KNApSAcK
Registry NumbersSources
CAS:101843-82-7KEGG COMPOUND