CHEBI:34637 - Chromanol 293B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Chromanol 293B
ChEBI ID CHEBI:34637
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C15H20N2O4S
C15H20N2O4S
Net Charge 0
Average Mass 324.397
Monoisotopic Mass 324.11438
InChI InChI=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
InChIKey HVSJHHXUORMCGK-UONOGXRCSA-N
SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N
ChEBI Ontology
Outgoing Chromanol 293B (CHEBI:34637) is a 1-benzopyran (CHEBI:38443)
Synonym Source
Chromanol 293B KEGG COMPOUND
Manual Xrefs Databases
C13820 KEGG COMPOUND
LSM-20970 LINCS
View more database links
Registry Number Type Source
163163-23-3 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016