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CHEBI:207099 - Quinocitrinine B

ChEBI IDCHEBI:207099
ChEBI NameQuinocitrinine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N2O2
Net Charge+1
Average Mass271.340
Monoisotopic Mass271.14410
SMILESCC[C@H](C)[C@H]1NC(=O)c2cc3ccc(O)cc3[n+](C)c21
InChIInChI=1S/C16H18N2O2/c1-4-9(2)14-15-12(16(20)17-14)7-10-5-6-11(19)8-13(10)18(15)3/h5-9,14H,4H2,1-3H3,(H,17,20)/p+1/t9-,14+/m0/s1
InChIKeyGTNBOKIWQUJZFH-LKFCYVNXSA-O
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (12870815)
ChEBI Ontology
Outgoing Relation(s)
Quinocitrinine B (CHEBI:207099) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(3R)-3-[(2S)-butan-2-yl]-6-hydroxy-4-methyl-2,3-dihydropyrrolo[3,4-b]quinolin-4-ium-1-one
Manual XrefsDatabases
9922383ChemSpider