CHEBI:94748 - 5-bromo-3-pyridinecarboxylic acid [(6aS,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl ester

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ChEBI Name 5-bromo-3-pyridinecarboxylic acid [(6aS,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl ester
ChEBI ID CHEBI:94748
Stars This entity has been manually annotated by a third party.
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Formula C24H26BrN3O3
Net Charge 0
Average Mass 484.386
Monoisotopic Mass 483.11575
InChI InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21+,24+/m1/s1
InChIKey YSEXMKHXIOCEJA-SJODRWRQSA-N
SMILES CN1C[C@@H](C[C@]2([C@@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br
ChEBI Ontology
Outgoing 5-bromo-3-pyridinecarboxylic acid [(6aS,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl ester (CHEBI:94748) is a organic heterotetracyclic compound (CHEBI:38163)
5-bromo-3-pyridinecarboxylic acid [(6aS,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl ester (CHEBI:94748) is a organonitrogen heterocyclic compound (CHEBI:38101)
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