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CHEBI:40048 - 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:40048
ChEBI Name4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC19H16N2O6
Net Charge0
Average Mass368.345
Monoisotopic Mass368.10084
SMILES[H]OC(=O)c1c(-c2c([H])c([H])c3c(c2[H])OC([H])([H])O3)c(-c2c([H])c(C([H])([H])C([H])([H])[H])c(O[H])c([H])c2O[H])nn1[H]
InChIInChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,22-23H,2,8H2,1H3,(H,20,21)(H,24,25)
InChIKeyLCTWZJKHOGKNMX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID (CHEBI:40048) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-(1,3-benzodioxol-5-yl)-3-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acidPDBeChem
4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
4BCPDBeChem