CHEBI:168947 - Nigellicine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nigellicine
ChEBI ID CHEBI:168947
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H14N2O3
Net Charge 0
Average Mass 246.266
Monoisotopic Mass 246.10044
InChI InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)
InChIKey FEJTUHSIRAJLOJ-UHFFFAOYSA-N
SMILES O=C1C=2C(N3N(CCCC3)C2C(O)=O)=CC(=C1)C
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 Nigellicine (CHEBI:168947) is a organic heterotricyclic compound (CHEBI:26979)
Nigellicine (CHEBI:168947) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name
3-methyl-1-oxo-6,7,8,9-tetrahydropyridazino[1,2-a]indazole-11-carboxylic acid
Manual Xrefs Databases
9577233 ChemSpider
HMDB0030269 HMDB
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