EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70246 - Cimigenol 3-O-beta-D-xylopyranoside

ChEBI IDCHEBI:70246
ChEBI NameCimigenol 3-O-beta-D-xylopyranoside
Stars
DefinitionA natural product found in Actaea racemosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H56O9
Net Charge0
Average Mass620.824
Monoisotopic Mass620.39243
SMILES[H][C@@]1(O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@]6([H])[C@H](C)C[C@@]7([H])O[C@@]6(O[C@@H]7C(C)(C)O)[C@H](O)[C@@]3(C)[C@]5([H])CC[C@@]4([H])C2(C)C)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
InChIKeyBTPYUWOBZFGKAI-XYGBCAHESA-N
Species of MetaboliteComponentSourceComments
Actaea racemosa (ncbitaxon:64040) rhizome (BTO:0001181) PubMed (21082802) Methanolic extract of dried, ground rhizomes
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
Cimigenol 3-O-beta-D-xylopyranoside (CHEBI:70246) has role metabolite (CHEBI:25212)
Cimigenol 3-O-beta-D-xylopyranoside (CHEBI:70246) is a cucurbitacin (CHEBI:16219)
Cimigenol 3-O-beta-D-xylopyranoside (CHEBI:70246) is a glycoside (CHEBI:24400)
Citations