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CHEBI:70250 - 25-O-anhydrocimigenol 3-O-beta-D-xylopyranoside

Default Structure
ChEBI IDCHEBI:70250
ChEBI Name25-O-anhydrocimigenol 3-O-beta-D-xylopyranoside
Stars
DefinitionA natural product found in Actaea racemosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H54O8
Net Charge0
Average Mass602.809
Monoisotopic Mass602.38187
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)[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/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28+,29-,31-,32-,33-,34+,35+/m1/s1
InChIKeyCVBALRXHSITZGC-PVGNLWKZSA-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)
25-O-anhydrocimigenol 3-O-beta-D-xylopyranoside (CHEBI:70250) has role metabolite (CHEBI:25212)
25-O-anhydrocimigenol 3-O-beta-D-xylopyranoside (CHEBI:70250) is a triterpenoid (CHEBI:36615)
Citations