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CHEBI:126385 - 3-[(3aS,4S,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:126385
ChEBI Name3-[(3aS,4S,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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DownloadsMolfile
FormulaC27H25N3O3
Net Charge0
Average Mass439.515
Monoisotopic Mass439.18959
SMILESN#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccc4c(c2)OCO4)[C@@H](CO)N3)c1
InChIInChI=1S/C27H25N3O3/c28-13-17-2-1-3-19(10-17)20-5-6-23-22(12-20)27-21(24(15-31)29-23)8-9-30(27)14-18-4-7-25-26(11-18)33-16-32-25/h1-7,10-12,21,24,27,29,31H,8-9,14-16H2/t21-,24+,27-/m0/s1
InChIKeyXYLNJKDQZFYWCE-WBWMCNGVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3aS,4S,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:126385) is a quinolines (CHEBI:26513)
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