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CHEBI:177852 - fiboflapon

Default Structure
ChEBI IDCHEBI:177852
ChEBI Namefiboflapon
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H43N3O4S
Net Charge0
Average Mass637.846
Monoisotopic Mass637.29743
SMILESCCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1
InChIInChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
InChIKeyDFQGDHBGRSTTHX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
fiboflapon (CHEBI:177852) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
3-[3-tert-butylsulanyl-1-[[4-(6-ethoxypyridin-3-yl)phenyl]methyl]-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-2,2-dimethylpropanoic acid
Manual XrefsDatabases
25069707ChemSpider
D10069KEGG DRUG
DB06346DrugBank
Registry NumbersSources
CAS:936350-00-4ChemIDplus