CHEBI:69114 - withalongolide J

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ChEBI Name withalongolide J
ChEBI ID CHEBI:69114
Definition A withanolide saponin that consists of 22,26-epoxyergosta-5,24-dien-28-ol substituted by additional hydroxy groups at positions 1, 3 and 19, an oxo group at position 26 and a β-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the aerial parts of Physalis longifolia.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H52O11
Net Charge 0
Average Mass 636.77010
Monoisotopic Mass 636.35096
InChI InChI=1S/C34H52O11/c1-16-18(14-43-32-30(41)29(40)28(39)26(13-35)45-32)10-25(44-31(16)42)17(2)22-6-7-23-21-5-4-19-11-20(37)12-27(38)34(19,15-36)24(21)8-9-33(22,23)3/h4,17,20-30,32,35-41H,5-15H2,1-3H3/t17-,20+,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1
InChIKey JDYYLQIQTRWVFW-ILJUDCBVSA-N
SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1
Metabolite of Species Details
Physalis longifolia (NCBI:txid161495) Found in aerial part (BTO:0001658). CH2Cl2-MeOH(1:1) extract of the air-dried aerial parts See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing withalongolide J (CHEBI:69114) has role plant metabolite (CHEBI:76924)
withalongolide J (CHEBI:69114) is a β-D-glucoside (CHEBI:22798)
withalongolide J (CHEBI:69114) is a δ-lactone (CHEBI:18946)
withalongolide J (CHEBI:69114) is a 1-hydroxy steroid (CHEBI:71017)
withalongolide J (CHEBI:69114) is a 19-hydroxy steroid (CHEBI:36842)
withalongolide J (CHEBI:69114) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
withalongolide J (CHEBI:69114) is a ergostanoid (CHEBI:50403)
withalongolide J (CHEBI:69114) is a monosaccharide derivative (CHEBI:63367)
withalongolide J (CHEBI:69114) is a withanolide saponin (CHEBI:76344)
IUPAC Name
(22R)-1α,3β,19-trihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-28-yl β-D-glucopyranoside
Synonym Source
28-O-β-D-glucopyranosyl-1α,3β,19-trihydroxywitha-5,24-dienolide ChEBI
Registry Number Type Source
22217722 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22098611 PubMed citation Europe PMC
Last Modified
25 April 2017