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CHEBI:192631 - 4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate

ChEBI IDCHEBI:192631
ChEBI Name4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2OS.H2O
Net Charge0
Average Mass292.404
Monoisotopic Mass292.12455
SMILESO.O=c1nnc(-c2cccs2)cc1CC1CCCCC1
InChIInChI=1S/C15H18N2OS.H2O/c18-15-12(9-11-5-2-1-3-6-11)10-13(16-17-15)14-7-4-8-19-14;/h4,7-8,10-11H,1-3,5-6,9H2,(H,17,18);1H2
InChIKeyOMJWBWGXCXMCTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate (CHEBI:192631) is a pyridazines (CHEBI:37921)
IUPAC Name 
5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one;hydrate
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2009482ChemSpider