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CHEBI:168437 - Koenigine

ChEBI IDCHEBI:168437
ChEBI NameKoenigine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO3
Net Charge0
Average Mass309.365
Monoisotopic Mass309.13649
SMILESCOc1cc2c(cc1O)nc1c3c(c(C)cc12)OC(C)(C)C=C3
InChIInChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3
InChIKeyCZZZOTXCAIDYOZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Koenigine (CHEBI:168437) is a carbazoles (CHEBI:48513)
IUPAC Name 
8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
Manual XrefsDatabases
HMDB0030207HMDB
4477289ChemSpider