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CHEBI:68999 - dysolenticin C

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:
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.
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