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CHEBI:68089 - Grandilodine C

ChEBI IDCHEBI:68089
ChEBI NameGrandilodine C
Stars
DefinitionA natural product found in Kopsia grandifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H20N2O5
Net Charge0
Average Mass380.400
Monoisotopic Mass380.13722
SMILES[H][C@]12C[C@]34C=CC(=O)N3CC[C@@]3(OC1=O)c1ccccc1N(C(=O)OC)[C@]23CC4
InChIInChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14-,19+,20+,21+/m0/s1
InChIKeySTACHDUHGOCYFP-RKTMXUFFSA-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)
Grandilodine C (CHEBI:68089) has role metabolite (CHEBI:25212)
Grandilodine C (CHEBI:68089) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
Methyl (1R,9R,12R,21R)-15,20-dioxo-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