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CHEBI:32255 - Trepibutone

Default Structure
ChEBI IDCHEBI:32255
ChEBI NameTrepibutone
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H22O6
Net Charge0
Average Mass310.346
Monoisotopic Mass310.14164
SMILESCCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC
InChIInChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyYPTFHLJNWSJXKG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Trepibutone (CHEBI:32255) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
supacalDrugCentral
TrepibutoneKEGG COMPOUND
trepionateDrugCentral
Manual XrefsDatabases
2719DrugCentral
D01365KEGG DRUG
Registry NumbersSources
CAS:41826-92-0KEGG COMPOUND