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CHEBI:70243 - 23-epi-26-deoxyactein

Default Structure
ChEBI IDCHEBI:70243
ChEBI Name23-epi-26-deoxyactein
Stars
DefinitionA natural product found in Actaea racemosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H56O10
Net Charge0
Average Mass660.845
Monoisotopic Mass660.38735
SMILES[H][C@@]1(O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@@]3(C)[C@@](C)(C[C@]6([H])O[C@@]7(C[C@@H](C)[C@]36[H])OC[C@@]3(C)O[C@@]73[H])[C@]5([H])CC[C@@]4([H])C2(C)C)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37-/m1/s1
InChIKeyGCMGJWLOGKSUGX-WUHYQCRDSA-N
Species of MetaboliteComponentSourceComments
Actaea racemosa (ncbitaxon:64040) rhizome (BTO:0001181) PubMed (21082802) Methanolic extract of dried, ground rhizomes
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
23-epi-26-deoxyactein (CHEBI:70243) has role metabolite (CHEBI:25212)
23-epi-26-deoxyactein (CHEBI:70243) is a triterpenoid (CHEBI:36615)
Citations