EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31160 - Aceglatone

Default Structure
ChEBI IDCHEBI:31160
ChEBI NameAceglatone
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H10O8
Net Charge0
Average Mass258.182
Monoisotopic Mass258.03757
SMILES[H][C@]12OC(=O)[C@H](OC(C)=O)[C@@]1([H])OC(=O)[C@H]2OC(C)=O
InChIInChI=1S/C10H10O8/c1-3(11)15-7-5-6(18-9(7)13)8(10(14)17-5)16-4(2)12/h5-8H,1-2H3/t5-,6-,7-,8+/m0/s1
InChIKeyZOZKYEHVNDEUCO-DKXJUACHSA-N
ChEBI Ontology
Outgoing Relation(s)
Aceglatone (CHEBI:31160) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
AceglatoneKEGG COMPOUND
glucaronDrugCentral
Manual XrefsDatabases
45DrugCentral
D01805KEGG DRUG
Registry NumbersSources
CAS:642-83-1KEGG COMPOUND