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CHEBI:68090 - lapidilectine A, (rel)-

ChEBI IDCHEBI:68090
ChEBI Namelapidilectine A, (rel)-
Stars
DefinitionA natural product found in Kopsia grandifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H28N2O6
Net Charge0
Average Mass440.496
Monoisotopic Mass440.19474
SMILESCOC(=O)[C@@H]1C[C@]23C=CCN2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@]12CC3
InChIInChI=1S/C24H28N2O6/c1-30-19(27)17-15-22-9-6-13-25(22)14-12-23(20(28)31-2)16-7-4-5-8-18(16)26(21(29)32-3)24(17,23)11-10-22/h4-9,17H,10-15H2,1-3H3/t17-,22+,23+,24+/m0/s1
InChIKeyYLBUDFTWGUSIKB-QKBJRNKPSA-N
Species of MetaboliteComponentSourceComments
Kopsia grandifolia (IPNI:60436655-2) stem (BTO:0001300) PubMed (21428274) Previous component: stem bark; stembark extract
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
lapidilectine A, (rel)- (CHEBI:68090) has role metabolite (CHEBI:25212)
lapidilectine A, (rel)- (CHEBI:68090) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
rel-Trimethyl (1R,9S,16R,18R)-2,12-diazapentacyclo[14.2.2.0[1,9].0[3,8].0[12,16]]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylateChEBI
Citations