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CHEBI:128167 - [(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone

ChEBI IDCHEBI:128167
ChEBI Name[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone
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FormulaC26H28N2O3
Net Charge0
Average Mass416.521
Monoisotopic Mass416.20999
SMILESCOc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3)cc1
InChIInChI=1S/C26H28N2O3/c1-31-20-10-7-17(8-11-20)5-6-18-9-12-23-22(15-18)25-21(24(16-29)27-23)13-14-28(25)26(30)19-3-2-4-19/h7-12,15,19,21,24-25,27,29H,2-4,13-14,16H2,1H3/t21-,24+,25-/m0/s1
InChIKeyHRBBGOIDWGNITJ-GPUOULLFSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone (CHEBI:128167) is a pyrroloquinoline (CHEBI:50918)
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