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CHEBI:68999 - dysolenticin C

Default Structure
ChEBI IDCHEBI:68999
ChEBI Namedysolenticin C
Stars
DefinitionA tetracyclic triterpenoid isolated from Dysoxylum lenticellatum.
Last Modified13 November 2013
DownloadsMolfile
FormulaC27H38O5
Net Charge0
Average Mass442.596
Monoisotopic Mass442.27192
SMILES[H][C@@]1(C2=CC(O)(CO)OC2=O)CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C
InChIInChI=1S/C27H38O5/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)29)9-13-25(4)17(8-12-26(19,25)5)16-14-27(31,15-28)32-22(16)30/h6,14,17-18,20,28,31H,7-13,15H2,1-5H3/t17-,18-,20-,24+,25-,26+,27?/m0/s1
InChIKeyDKUCZRZGAXYSEA-LRJKLRJMSA-N
Species of MetaboliteComponentSourceComments
Dysoxylum lenticellatum (IPNI:578201-1)
leaf (BTO:0000713) PubMed (21954912) Compound is an epimeric mixture. 95% Ethanolic extract of air-dried, powdered leaves and twigs.
twig (BTO:0001411) PubMed (21954912) Compound is an epimeric mixture. 95% Ethanolic extract of air-dried, powdered leaves and twigs.
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
dysolenticin C (CHEBI:68999) has role metabolite (CHEBI:25212)
dysolenticin C (CHEBI:68999) has role plant metabolite (CHEBI:76924)
dysolenticin C (CHEBI:68999) is a butenolide (CHEBI:50523)
dysolenticin C (CHEBI:68999) is a cyclic terpene ketone (CHEBI:36130)
dysolenticin C (CHEBI:68999) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
rel-(5α,13α,14β,17α)-23,24-dihydroxy-4,4,14-trimethyl-21,23-epoxychola-7,20(22)-diene-3,21-dione
Registry NumbersSources
Reaxys:22011330Reaxys
Citations