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CHEBI:130706 - [(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone

ChEBI IDCHEBI:130706
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]-cyclopentylmethanone
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FormulaC27H30N2O3
Net Charge0
Average Mass430.548
Monoisotopic Mass430.22564
SMILESCOc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3)cc1
InChIInChI=1S/C27H30N2O3/c1-32-21-11-8-18(9-12-21)6-7-19-10-13-24-23(16-19)26-22(25(17-30)28-24)14-15-29(26)27(31)20-4-2-3-5-20/h8-13,16,20,22,25-26,28,30H,2-5,14-15,17H2,1H3/t22-,25+,26-/m0/s1
InChIKeyLSXHZKGIQBOBSG-DFCKQENNSA-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]-cyclopentylmethanone (CHEBI:130706) is a pyrroloquinoline (CHEBI:50918)
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