EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:126966 - [(3aS,4S,9bS)-8-(2-phenylethynyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:126966
ChEBI Name[(3aS,4S,9bS)-8-(2-phenylethynyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
Stars
DownloadsMolfile
FormulaC24H23N3OS
Net Charge0
Average Mass401.535
Monoisotopic Mass401.15618
SMILESOC[C@H]1Nc2ccc(C#Cc3ccccc3)cc2[C@@H]2[C@H]1CCN2Cc1nccs1
InChIInChI=1S/C24H23N3OS/c28-16-22-19-10-12-27(15-23-25-11-13-29-23)24(19)20-14-18(8-9-21(20)26-22)7-6-17-4-2-1-3-5-17/h1-5,8-9,11,13-14,19,22,24,26,28H,10,12,15-16H2/t19-,22+,24-/m0/s1
InChIKeyWNJFORFFFSSMHA-KWOQKUFVSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-8-(2-phenylethynyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:126966) is a pyrroloquinoline (CHEBI:50918)
Manual XrefsDatabases
LSM-38529LINCS