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CHEBI:34637 - Chromanol 293B

ChEBI IDCHEBI:34637
ChEBI NameChromanol 293B
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC15H20N2O4S
Net Charge0
Average Mass324.402
Monoisotopic Mass324.11438
SMILESCCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O
InChIInChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
InChIKeyHVSJHHXUORMCGK-UONOGXRCSA-N
ChEBI Ontology
Outgoing Relation(s)
Chromanol 293B (CHEBI:34637) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
Chromanol 293BKEGG COMPOUND
Manual XrefsDatabases
C13820KEGG COMPOUND
LSM-20970LINCS
Registry NumbersSources
CAS:163163-23-3KEGG COMPOUND