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CHEBI:177429 - lonapalene

ChEBI IDCHEBI:177429
ChEBI Namelonapalene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15ClO6
Net Charge0
Average Mass338.743
Monoisotopic Mass338.05572
SMILESCOc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
InChIInChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
InChIKeyIFWMVQUGSGWCRP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
lonapalene (CHEBI:177429) is a naphthalenes (CHEBI:25477)
lonapalene (CHEBI:177429) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
(4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate
Manual XrefsDatabases
50751ChemSpider
D04770KEGG DRUG
Registry NumbersSources
CAS:91431-42-4ChemIDplus