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CHEBI:67481 - ethyl lansiolate

Default Structure
ChEBI IDCHEBI:67481
ChEBI Nameethyl lansiolate
Stars
DefinitionA triterpenoid that is the ethyl ester of lansiolic acid. It has been isolated from the twigs of Lansium domesticum.
Last Modified2 March 2015
DownloadsMolfile
FormulaC32H52O3
Net Charge0
Average Mass484.765
Monoisotopic Mass484.39165
SMILES[H][C@@]12CCC(=C)[C@H](CC[C@H]3C(C)=CC[C@@H](C(=C)C)[C@]3(C)CCC(=O)OCC)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C32H52O3/c1-10-35-29(34)18-20-31(8)24(21(2)3)13-11-22(4)25(31)14-15-26-23(5)12-16-27-30(6,7)28(33)17-19-32(26,27)9/h11,24-28,33H,2,5,10,12-20H2,1,3-4,6-9H3/t24-,25-,26-,27-,28-,31-,32+/m0/s1
InChIKeyMBFTWDFKACXAAV-XXYMEPQGSA-N
Species of MetaboliteComponentSourceComments
Lansium domesticum (ncbitaxon:201017) twig (BTO:0001411) PubMed (21401117) 95% ethanolic extract of air-dried and powdered 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.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
ethyl lansiolate (CHEBI:67481) has functional parent lansiolic acid (CHEBI:67483)
ethyl lansiolate (CHEBI:67481) has role antibacterial agent (CHEBI:33282)
ethyl lansiolate (CHEBI:67481) has role metabolite (CHEBI:25212)
ethyl lansiolate (CHEBI:67481) has role plant metabolite (CHEBI:76924)
ethyl lansiolate (CHEBI:67481) is a ethyl ester (CHEBI:23990)
ethyl lansiolate (CHEBI:67481) is a secondary alcohol (CHEBI:35681)
ethyl lansiolate (CHEBI:67481) is a triterpenoid (CHEBI:36615)
IUPAC Name 
ethyl 3-[(1S,2S,6S)-2-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate
Registry NumbersSources
Reaxys:21534275Reaxys
Citations