[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:129139)

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CHEBI:129139 - [(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

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ChEBI ID	CHEBI:129139
ChEBI Name	[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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Downloads	Molfile

Formula	C25H26N4O4S
Net Charge	0
Average Mass	478.574
Monoisotopic Mass	478.16748
SMILES	COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cn(C)cn1)[C@@H](CO)N2
InChI	InChI=1S/C25H26N4O4S/c1-28-14-24(26-16-28)34(31,32)29-12-11-19-22(15-30)27-21-10-8-17(13-20(21)25(19)29)7-9-18-5-3-4-6-23(18)33-2/h3-6,8,10,13-14,16,19,22,25,27,30H,11-12,15H2,1-2H3/t19-,22+,25-/m0/s1
InChIKey	IXMYRMGVQVDYKV-SWHJIRTISA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:129139) is a pyrroloquinoline (CHEBI:50918)

Manual Xrefs	Databases
LSM-40690	LINCS