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CHEBI:129414 - [(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone

ChEBI IDCHEBI:129414
ChEBI Name[(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone
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FormulaC26H32N2O3
Net Charge0
Average Mass420.553
Monoisotopic Mass420.24129
SMILESCOc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1
InChIInChI=1S/C26H32N2O3/c1-31-20-9-5-8-18(14-20)19-10-11-23-22(15-19)25-21(24(16-29)27-23)12-13-28(25)26(30)17-6-3-2-4-7-17/h5,8-11,14-15,17,21,24-25,27,29H,2-4,6-7,12-13,16H2,1H3/t21-,24+,25-/m0/s1
InChIKeyGXVWFRBIVXCGPX-GPUOULLFSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone (CHEBI:129414) is a quinolines (CHEBI:26513)
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