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CHEBI:69001 - dysolenticin E

ChEBI IDCHEBI:69001
ChEBI Namedysolenticin E
Stars
DefinitionA tirucallane triterpenoid isolated from Dysoxylum lenticellatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC[C@@]3(C)[C@]([H])(C4COC(O)(C(=O)C(C)C)C4)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-18(2)25(32)30(33)16-19(17-34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,18-21,23-24,31,33H,9-17H2,1-7H3/t19?,20-,21-,23-,24+,27+,28-,29+,30?/m0/s1
InChIKeyUTRFMZZTJWAJPP-RADKDSRJSA-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 Role:
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 E (CHEBI:69001) has role plant metabolite (CHEBI:76924)
dysolenticin E (CHEBI:69001) is a cyclic hemiketal (CHEBI:59780)
dysolenticin E (CHEBI:69001) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(3α,13α,14β,17α,20ξ)-3,23-dihydroxy-21,23-epoxylanost-7-en-24-one
Registry NumbersSources
Reaxys:22011333Reaxys
Citations