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

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ChEBI Name 23-O-acetylshengmanol 3-O-beta-D-xylopyranoside
ChEBI ID CHEBI:70244
Definition A natural product found in Actaea racemosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H58O10
Net Charge 0
Average Mass 662.85040
Monoisotopic Mass 662.40300
InChI InChI=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
InChIKey IHEJMZHKJYHVFF-JUKRZFGDSA-N
SMILES [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@@]([H])([C@H](C)C[C@@H](OC(C)=O)[C@]5([H])OC5(C)C)C(=O)[C@H](O)[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C
Metabolite of Species Details
Actaea racemosa (NCBI:txid64040) Found in rhizome (BTO:0001181). Methanolic extract of dried, ground rhizomes See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
21082802 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:steroid ester(CHEBI:47880); ISA:16-oxo steroid(CHEBI:47786); ISA:hydroxy steroid(CHEBI:35350); ISA:glycoside(CHEBI:24400); ISA:monosaccharide(CHEBI:35381); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:cyclic ketone(CHEBI:3992); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955);