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CHEBI:67483 - lansiolic acid

ChEBI IDCHEBI:67483
ChEBI Namelansiolic acid
Stars
DefinitionA triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
Last Modified9 January 2014
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@@]12CCC(=C)[C@H](CC[C@H]3C(C)=CC[C@@H](C(=C)C)[C@]3(C)CCC(=O)O)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H48O3/c1-19(2)22-11-9-20(3)23(29(22,7)18-16-27(32)33)12-13-24-21(4)10-14-25-28(5,6)26(31)15-17-30(24,25)8/h9,22-26,31H,1,4,10-18H2,2-3,5-8H3,(H,32,33)/t22-,23-,24-,25-,26-,29-,30+/m0/s1
InChIKeyVEQOUQWWEZDGIO-PIGJLUHJSA-N
Species of MetaboliteComponentSourceComments
Lansium domesticum (ncbitaxon:201017) twig (BTO:0001411) PubMed (21401117) 95% ethanolic extract of air-dried and powdered twigs
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
lansiolic acid (CHEBI:67483) has role plant metabolite (CHEBI:76924)
lansiolic acid (CHEBI:67483) is a hydroxy monocarboxylic acid (CHEBI:35868)
lansiolic acid (CHEBI:67483) is a triterpenoid (CHEBI:36615)
Incoming Relation(s)
ethyl lansiolate (CHEBI:67481) has functional parent lansiolic acid (CHEBI:67483)
methyl lansiolate (CHEBI:67484) has functional parent lansiolic acid (CHEBI:67483)
IUPAC Name 
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]propanoic acid
Registry NumbersSources
Reaxys:4723365Reaxys
Citations