[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone (CHEBI:128965)

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CHEBI:128965 - [(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone

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ChEBI ID	CHEBI:128965
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]-(2-pyridinyl)methanone
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Formula	C27H25N3O3
Net Charge	0
Average Mass	439.515
Monoisotopic Mass	439.18959
SMILES	COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3)cc1
InChI	InChI=1S/C27H25N3O3/c1-33-20-10-7-18(8-11-20)5-6-19-9-12-23-22(16-19)26-21(25(17-31)29-23)13-15-30(26)27(32)24-4-2-3-14-28-24/h2-4,7-12,14,16,21,25-26,29,31H,13,15,17H2,1H3/t21-,25+,26-/m0/s1
InChIKey	ITXAMLPOSGDLKI-BYXVTNLJSA-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]-(2-pyridinyl)methanone (CHEBI:128965) is a pyrroloquinoline (CHEBI:50918)

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