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CHEBI:67482 - lansic acid

ChEBI IDCHEBI:67482
ChEBI Namelansic acid
Stars
DefinitionA triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
Last Modified9 January 2014
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESC=C(C)[C@@H]1CCC(=C)[C@H](CC[C@H]2C(C)=CC[C@@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C30H46O4/c1-19(2)23-11-9-21(5)25(29(23,7)17-15-27(31)32)13-14-26-22(6)10-12-24(20(3)4)30(26,8)18-16-28(33)34/h10,23-26H,1,3,5,9,11-18H2,2,4,6-8H3,(H,31,32)(H,33,34)/t23-,24-,25-,26-,29-,30-/m0/s1
InChIKeySYTWWAZKYVYTTQ-SUAVODKESA-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)
lansic acid (CHEBI:67482) has role plant metabolite (CHEBI:76924)
lansic acid (CHEBI:67482) is a dicarboxylic acid (CHEBI:35692)
lansic acid (CHEBI:67482) is a triterpenoid (CHEBI:36615)
Incoming Relation(s)
lansic acid 3-ethyl ester (CHEBI:67480) has functional parent lansic acid (CHEBI:67482)
IUPAC Name 
3-[(1S,2S,6S)-2-{2-[(1S,5S,6S)-6-(2-carboxyethyl)-2,6-dimethyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]ethyl}-1-methyl-3-methylidene-6-(prop-1-en-2-yl)cyclohexyl]propanoic acid
Synonym  Source
3,4;21,22-bisseco-4(23),7,14(27),22(29)-onoceratetraene-3,21-dioic acidHMDB
Manual XrefsDatabases
HMDB0036786HMDB
Registry NumbersSources
Reaxys:4726745Reaxys
Citations