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CHEBI:70247 - Cimiracemoside D

Default Structure
ChEBI IDCHEBI:70247
ChEBI NameCimiracemoside D
Stars
DefinitionA natural product found in Actaea racemosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H58O11
Net Charge0
Average Mass678.860
Monoisotopic Mass678.39791
SMILES[H][C@@]1(O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[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/C37H58O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19+,20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1
InChIKeyHZIBYJCDCHVSPK-RKUDFBBFSA-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)
Cimiracemoside D (CHEBI:70247) has role metabolite (CHEBI:25212)
Cimiracemoside D (CHEBI:70247) is a cucurbitacin (CHEBI:16219)
Cimiracemoside D (CHEBI:70247) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
10242586ChemSpider
Citations