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CHEBI:130755 - 1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(2-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

ChEBI IDCHEBI:130755
ChEBI Name1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(2-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
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DownloadsMolfile
FormulaC29H28N2O3
Net Charge0
Average Mass452.554
Monoisotopic Mass452.20999
SMILESCOc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)Cc1ccccc1)[C@@H](CO)N2
InChIInChI=1S/C29H28N2O3/c1-34-27-10-6-5-9-22(27)13-11-21-12-14-25-24(17-21)29-23(26(19-32)30-25)15-16-31(29)28(33)18-20-7-3-2-4-8-20/h2-10,12,14,17,23,26,29-30,32H,15-16,18-19H2,1H3/t23-,26+,29-/m0/s1
InChIKeyADRXWOYBHVFFAG-LBGGBARHSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(2-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone (CHEBI:130755) is a pyrroloquinoline (CHEBI:50918)
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