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CHEBI:230722 - Romergoline

ChEBI IDCHEBI:230722
ChEBI NameRomergoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N4O2
Net Charge0
Average Mass350.422
Monoisotopic Mass350.17428
SMILESCN1C[C@H](CN2CC(=O)NC(=O)C2)C=C2c3cccc4ncc(c34)C[C@H]21
InChIInChI=1S/C20H22N4O2/c1-23-8-12(9-24-10-18(25)22-19(26)11-24)5-15-14-3-2-4-16-20(14)13(7-21-16)6-17(15)23/h2-5,7,12,17,21H,6,8-11H2,1H3,(H,22,25,26)/t12-,17-/m1/s1
InChIKeyRJCXNCSJGRUWRW-SJKOYZFVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Romergoline (CHEBI:230722) is a organic heterotetracyclic compound (CHEBI:38163)
Romergoline (CHEBI:230722) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
4-[[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinolin-9-yl]methyl]piperazine-2,6-dione
Manual XrefsDatabases
59307ChemSpider