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CHEBI:183408 - 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid

ChEBI IDCHEBI:183408
ChEBI Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O3
Net Charge0
Average Mass246.266
Monoisotopic Mass246.10044
SMILESCOc1ccc(-c2c(C)nnc2C)c(C(=O)O)c1
InChIInChI=1S/C13H14N2O3/c1-7-12(8(2)15-14-7)10-5-4-9(18-3)6-11(10)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyCBCMTURGULPQFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid (CHEBI:183408) is a pyrazoles (CHEBI:26410)
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid (CHEBI:183408) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
Manual XrefsDatabases
2077054ChemSpider