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CHEBI:69006 - dysolenticin I

ChEBI IDCHEBI:69006
ChEBI Namedysolenticin I
Stars
DefinitionA tetracyclic triterpenoid isolated from Dysoxylum lenticellatum.
Last Modified16 March 2015
DownloadsMolfile
FormulaC31H46O5
Net Charge0
Average Mass498.704
Monoisotopic Mass498.33452
SMILES[H][C@@]1(C(=O)CC(C(=O)OC)[C@]2([H])CC[C@]3(C)C4=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]5(C)[C@@]4([H])CC[C@@]23C)OC1(C)C
InChIInChI=1S/C31H46O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)33)12-16-30(6)19(11-15-31(21,30)7)18(26(34)35-8)17-22(32)25-28(3,4)36-25/h9,18-20,23,25H,10-17H2,1-8H3/t18?,19-,20-,23-,25-,29+,30-,31+/m0/s1
InChIKeyQVTNHGHXAGBGOD-HQOFTSHHSA-N
Species of MetaboliteComponentSourceComments
Dysoxylum lenticellatum (IPNI:578201-1)
leaf (BTO:0000713) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
twig (BTO:0001411) PubMed (21954912) 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 I (CHEBI:69006) has role plant metabolite (CHEBI:76924)
dysolenticin I (CHEBI:69006) is a cyclic terpene ketone (CHEBI:36130)
dysolenticin I (CHEBI:69006) is a epoxide (CHEBI:32955)
dysolenticin I (CHEBI:69006) is a methyl ester (CHEBI:25248)
dysolenticin I (CHEBI:69006) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(13α,14β,17α,20ξ,24R)-21-methoxy-21,23-dioxo-24,25-epoxylanost-7-en-3-one
Registry NumbersSources
Reaxys:22011336Reaxys
Citations