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CHEBI:70248 - 25-O-acetylcimigenol 3-O-alpha-L-arabinopyranoside

ChEBI IDCHEBI:70248
ChEBI Name25-O-acetylcimigenol 3-O-alpha-L-arabinopyranoside
Stars
DefinitionA natural product found in Actaea racemosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H58O10
Net Charge0
Average Mass662.861
Monoisotopic Mass662.40300
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)OC(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/C37H58O10/c1-18-15-21-28(32(5,6)45-19(2)38)47-37(46-21)27(18)33(7)13-14-36-17-35(36)12-11-24(44-29-26(41)25(40)20(39)16-43-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)42/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20+,21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1
InChIKeyNNFJPOSVDKIWPO-VYWUFNEXSA-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)
25-O-acetylcimigenol 3-O-alpha-L-arabinopyranoside (CHEBI:70248) has role metabolite (CHEBI:25212)
25-O-acetylcimigenol 3-O-alpha-L-arabinopyranoside (CHEBI:70248) is a cucurbitacin (CHEBI:16219)
25-O-acetylcimigenol 3-O-alpha-L-arabinopyranoside (CHEBI:70248) is a glycoside (CHEBI:24400)
Citations