CHEBI:228488 - Stiripentol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stiripentol
ChEBI ID CHEBI:228488
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O3
Net Charge 0
Average Mass 234.295
Monoisotopic Mass 234.12559
InChI InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
InChIKey IBLNKMRFIPWSOY-FNORWQNLSA-N
SMILES OC(C(C)(C)C)/C=C/C1=CC=2OCOC2C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing Stiripentol (CHEBI:228488) is a benzodioxoles (CHEBI:38298)
IUPAC Name
(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
Manual Xrefs Databases
4470940 ChemSpider
D05928 KEGG DRUG
DB09118 KEGG DRUG
LSM-43154 LINCS
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