CHEBI:69110 - withalongolide E

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ChEBI Name withalongolide E
ChEBI ID CHEBI:69110
Definition A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 11 and 27, a methoxy group at position 3 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H42O8
Net Charge 0
Average Mass 518.63900
Monoisotopic Mass 518.28797
InChI InChI=1S/C29H42O8/c1-13-8-20(36-26(34)16(13)12-30)14(2)17-6-7-18-15-9-23-29(37-23)25(33)21(35-5)10-22(32)28(29,4)24(15)19(31)11-27(17,18)3/h14-15,17-21,23-25,30-31,33H,6-12H2,1-5H3/t14-,15-,17+,18-,19-,20+,21-,23+,24+,25-,27+,28+,29-/m0/s1
InChIKey JQCUJCHQCVDHTF-OAWRJLTLSA-N
SMILES CO[C@H]1CC(=O)[C@]2(C)[C@H]3[C@@H](O)C[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via withanolide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing withalongolide E (CHEBI:69110) has role metabolite (CHEBI:25212)
withalongolide E (CHEBI:69110) has role plant metabolite (CHEBI:76924)
withalongolide E (CHEBI:69110) is a δ-lactone (CHEBI:18946)
withalongolide E (CHEBI:69110) is a 11β-hydroxy steroid (CHEBI:35346)
withalongolide E (CHEBI:69110) is a 27-hydroxy steroid (CHEBI:37914)
withalongolide E (CHEBI:69110) is a 4-hydroxy steroid (CHEBI:62846)
withalongolide E (CHEBI:69110) is a epoxy steroid (CHEBI:145217)
withalongolide E (CHEBI:69110) is a ergostanoid (CHEBI:50403)
withalongolide E (CHEBI:69110) is a primary alcohol (CHEBI:15734)
withalongolide E (CHEBI:69110) is a secondary alcohol (CHEBI:35681)
withalongolide E (CHEBI:69110) is a withanolide (CHEBI:74716)
IUPAC Name
(3β,4β,5β,6β,11β,22R)-4,11,27-trihydroxy-3-methoxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione
Registry Number Type Source
22217712 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22098611 PubMed citation Europe PMC
Last Modified
29 October 2019