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CHEBI:3138 - Bleekerine

ChEBI IDCHEBI:3138
ChEBI NameBleekerine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC23H24N2O5
Net Charge0
Average Mass408.454
Monoisotopic Mass408.16852
SMILES[H][C@@]12C[n+]3ccc4c([n-]c5cc(OC)c(OC)cc54)c3C[C@]1([H])C(C(=O)OC)=CO[C@H]2C
InChIInChI=1S/C23H24N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h5-6,8-9,11-12,14,16H,7,10H2,1-4H3/t12-,14-,16-/m0/s1
InChIKeyTWZUULCDVYYPNU-NOLJZWGESA-N
ChEBI Ontology
Outgoing Relation(s)
Bleekerine (CHEBI:3138) is a methyl ester (CHEBI:25248)
Bleekerine (CHEBI:3138) is a β-carbolines (CHEBI:60834)
Synonym  Source
BleekerineKEGG COMPOUND
Manual XrefsDatabases
C09046KEGG COMPOUND
Registry NumbersSources
CAS:41758-43-4KEGG COMPOUND