CHEBI:127044 - [(3aR,4R,9bS)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-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 Name [(3aR,4R,9bS)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone
ChEBI ID CHEBI:127044
Stars This entity has been manually annotated by a third party.
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Formula C27H30N2O4
Net Charge 0
Average Mass 446.539
Monoisotopic Mass 446.22056
InChI InChI=1S/C27H30N2O4/c1-28-22-9-7-18(17-5-3-2-4-6-17)13-21(22)26-20(23(28)15-30)11-12-29(26)27(31)19-8-10-24-25(14-19)33-16-32-24/h5,7-10,13-14,20,23,26,30H,2-4,6,11-12,15-16H2,1H3/t20-,23-,26-/m0/s1
InChIKey QJGLWAWSUWUBCM-CHZKFRDHSA-N
SMILES CN1[C@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C4=CCCCC4)C(=O)C5=CC6=C(C=C5)OCO6)CO
ChEBI Ontology
Outgoing [(3aR,4R,9bS)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone (CHEBI:127044) is a pyrroloquinoline (CHEBI:50918)
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