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CHEBI:70241 - Actein

ChEBI IDCHEBI:70241
ChEBI NameActein
Stars
DefinitionA natural product found in Actaea racemosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H56O11
Net Charge0
Average Mass676.844
Monoisotopic Mass676.38226
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])O[C@H](O)[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/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1
InChIKeyNEWMWGLPJQHSSQ-PSDKAYTQSA-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)
Actein (CHEBI:70241) has role metabolite (CHEBI:25212)
Actein (CHEBI:70241) is a triterpenoid (CHEBI:36615)
Citations