EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31798 - Malotilate

ChEBI IDCHEBI:31798
ChEBI NameMalotilate
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC12H16O4S2
Net Charge0
Average Mass288.390
Monoisotopic Mass288.04900
SMILESCC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1
InChIInChI=1S/C12H16O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h5-8H,1-4H3
InChIKeyYPIQVCUJEKAZCP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Malotilate (CHEBI:31798) is a isopropyl ester (CHEBI:35725)
Synonyms  Source
MalotilateKEGG COMPOUND
kantecDrugCentral
Manual XrefsDatabases
D01770KEGG DRUG
1627DrugCentral
Registry NumbersSources
CAS:59937-28-9KEGG COMPOUND