CHEBI:32255 - Trepibutone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Trepibutone
ChEBI ID CHEBI:32255
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C16H22O6
C16H22O6
Net Charge 0
Average Mass 310.343
Monoisotopic Mass 310.14164
InChI InChI=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)
InChIKey YPTFHLJNWSJXKG-UHFFFAOYSA-N
SMILES C(CCC(O)=O)(=O)C1=C(OCC)C=C(C(=C1)OCC)OCC
ChEBI Ontology
Outgoing Trepibutone (CHEBI:32255) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
supacal DrugCentral
Trepibutone KEGG COMPOUND
trepionate DrugCentral
Manual Xrefs Databases
2719 DrugCentral
D01365 KEGG DRUG
View more database links
Registry Number Type Source
41826-92-0 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017