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CHEBI:70244 - 23-O-acetylshengmanol 3-O-beta-D-xylopyranoside

Default Structure
ChEBI IDCHEBI:70244
ChEBI Name23-O-acetylshengmanol 3-O-beta-D-xylopyranoside
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@@](C)([C@@H](O)C(=O)[C@]3([H])[C@H](C)C[C@@H](OC(C)=O)[C@]3([H])OC3(C)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(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1
InChIKeyIHEJMZHKJYHVFF-JUKRZFGDSA-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-O-acetylshengmanol 3-O-beta-D-xylopyranoside (CHEBI:70244) has role metabolite (CHEBI:25212)
23-O-acetylshengmanol 3-O-beta-D-xylopyranoside (CHEBI:70244) is a triterpenoid (CHEBI:36615)
Citations