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CHEBI:755961 - carbaspirin

Default Structure
ChEBI IDCHEBI:755961
ChEBI Namecarbaspirin
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC9H8O4.C9H8O4.CH4N2O
Net Charge0
Average Mass420.374
Monoisotopic Mass420.11688
SMILESCC(=O)Oc1ccccc1C(=O)O.CC(=O)Oc1ccccc1C(=O)O.NC(N)=O
InChIInChI=1S/2C9H8O4.CH4N2O/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4/h2*2-5H,1H3,(H,11,12);(H4,2,3,4)
InChIKeyQABKVYJFABZYAM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
carbaspirin (CHEBI:755961) has functional parent tetracarboxylic acid (CHEBI:35742)
carbaspirin (CHEBI:755961) is a organooxygen compound (CHEBI:36963)
Synonym  Source
CarbasalateChEMBL