CHEBI:168453 - Nigellidine

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ChEBI Name Nigellidine
ChEBI ID CHEBI:168453
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18N2O2
Net Charge 0
Average Mass 294.354
Monoisotopic Mass 294.13683
InChI InChI=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
InChIKey HJKNBAAMIKPHJF-UHFFFAOYSA-N
SMILES O=C1C2=C(N3N(CCCC3)C2=CC(=C1)C)C4=CC=C(O)C=C4
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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