[(3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone (CHEBI:130593)

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CHEBI:130593 - [(3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone

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ChEBI ID	CHEBI:130593
ChEBI Name	[(3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone
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Formula	C27H31N3O2
Net Charge	0
Average Mass	429.564
Monoisotopic Mass	429.24163
SMILES	CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO
InChI	InChI=1S/C27H31N3O2/c1-29-24-12-11-19(9-10-20-6-5-14-28-17-20)16-23(24)26-22(25(29)18-31)13-15-30(26)27(32)21-7-3-2-4-8-21/h5-6,11-12,14,16-17,21-22,25-26,31H,2-4,7-8,13,15,18H2,1H3/t22-,25+,26-/m1/s1
InChIKey	RJPOOYBWNWFNOM-ZSQFBXSQSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone (CHEBI:130593) is a pyrroloquinoline (CHEBI:50918)

Manual Xrefs	Databases
LSM-42142	LINCS