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CHEBI:129131 - 4-[(3aS,4S,9bS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:129131
ChEBI Name4-[(3aS,4S,9bS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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DownloadsMolfile
FormulaC27H23N3O4
Net Charge0
Average Mass453.498
Monoisotopic Mass453.16886
SMILESN#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3)cc1
InChIInChI=1S/C27H23N3O4/c28-13-16-1-3-17(4-2-16)18-5-7-22-21(11-18)26-20(23(14-31)29-22)9-10-30(26)27(32)19-6-8-24-25(12-19)34-15-33-24/h1-8,11-12,20,23,26,29,31H,9-10,14-15H2/t20-,23+,26-/m0/s1
InChIKeyKDZDGXJIHOWGHH-CLLDFNAGSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3aS,4S,9bS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:129131) is a quinolines (CHEBI:26513)
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