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CHEBI:229119 - Fluorocarpamine

ChEBI IDCHEBI:229119
ChEBI NameFluorocarpamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O3
Net Charge0
Average Mass338.407
Monoisotopic Mass338.16304
SMILESC/C=C1/CN2CCC34C(=O)c5ccccc5N3[C@@H](C(=O)OC)C1CC24
InChIInChI=1S/C20H22N2O3/c1-3-12-11-21-9-8-20-16(21)10-14(12)17(19(24)25-2)22(20)15-7-5-4-6-13(15)18(20)23/h3-7,14,16-17H,8-11H2,1-2H3/b12-3-/t14?,16?,17-,20?/m1/s1
InChIKeyPPYARVBMTFPVQA-OPWCFFJISA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Fluorocarpamine (CHEBI:229119) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (10R,12E)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate
Manual XrefsDatabases
4476239ChemSpider