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CHEBI:68093 - lapidilectine B

ChEBI IDCHEBI:68093
ChEBI Namelapidilectine B
Stars
DefinitionA natural product found in Kopsia grandifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H22N2O4
Net Charge0
Average Mass366.417
Monoisotopic Mass366.15796
SMILES[H][C@]12C[C@]34C=CCN3CC[C@@]3(OC1=O)c1ccccc1N(C(=O)OC)[C@]23CC4
InChIInChI=1S/C21H22N2O4/c1-26-18(25)23-16-6-3-2-5-14(16)21-10-12-22-11-4-7-19(22)8-9-20(21,23)15(13-19)17(24)27-21/h2-7,15H,8-13H2,1H3/t15-,19+,20+,21+/m0/s1
InChIKeyGLOIILVAVSJIEX-LWILDLIXSA-N
Species of MetaboliteComponentSourceComments
Kopsia grandifolia (IPNI:60436655-2) leaf (BTO:0000713) PubMed (21428274) leaf 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 B (CHEBI:68093) has role metabolite (CHEBI:25212)
lapidilectine B (CHEBI:68093) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
Methyl (1R,9R,12R,21R)-20-oxo-19-oxa-8,16-diazahexacyclo[10.6.4.0[1,9].0[2,7].0[9,21].0[12,16]]docosa-2,4,6,13-tetraene-8-carboxylateChEBI
Citations