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CHEBI:128835 - 1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-1-propanone

ChEBI IDCHEBI:128835
ChEBI Name1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-1-propanone
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DownloadsMolfile
FormulaC23H24N2O2
Net Charge0
Average Mass360.457
Monoisotopic Mass360.18378
SMILESCCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21
InChIInChI=1S/C23H24N2O2/c1-2-22(27)25-13-12-18-21(15-26)24-20-11-10-17(14-19(20)23(18)25)9-8-16-6-4-3-5-7-16/h3-7,10-11,14,18,21,23-24,26H,2,12-13,15H2,1H3/t18-,21+,23-/m1/s1
InChIKeyIFUKARKVVLQZDE-RZFNWQHOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-1-propanone (CHEBI:128835) is a pyrroloquinoline (CHEBI:50918)
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