[(3aS,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone (CHEBI:130085)

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CHEBI:130085 - [(3aS,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone

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ChEBI ID	CHEBI:130085
ChEBI Name	[(3aS,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone
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Downloads	Molfile

Formula	C28H28N2O5
Net Charge	0
Average Mass	472.541
Monoisotopic Mass	472.19982
SMILES	COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc4c(c2)OCO4)[C@@H](CO)N3C)c1
InChI	InChI=1S/C28H28N2O5/c1-29-23-8-6-18(17-4-3-5-20(12-17)33-2)13-22(23)27-21(24(29)15-31)10-11-30(27)28(32)19-7-9-25-26(14-19)35-16-34-25/h3-9,12-14,21,24,27,31H,10-11,15-16H2,1-2H3/t21-,24-,27-/m1/s1
InChIKey	ZSJKMADIWCANIW-GNMGOMLTSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aS,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone (CHEBI:130085) is a quinolines (CHEBI:26513)

Manual Xrefs	Databases
LSM-41635	LINCS