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CHEBI:168453 - Nigellidine

ChEBI IDCHEBI:168453
ChEBI NameNigellidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O2
Net Charge0
Average Mass294.354
Monoisotopic Mass294.13683
SMILESCc1cc2n3n(c(-c4ccc(O)cc4)c-2c(=O)c1)CCCC3
InChIInChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3
InChIKeyHJKNBAAMIKPHJF-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)
Nigellidine (CHEBI:168453) is a organic heterotricyclic compound (CHEBI:26979)
Nigellidine (CHEBI:168453) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-1-one