EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143488 - (2R,3R,4R,5S)-6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:143488
ChEBI Name(2R,3R,4R,5S)-6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H19ClN2O8
Net Charge0
Average Mass462.842
Monoisotopic Mass462.08299
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21?/m0/s1
InChIKeyFIKQKGFUBZQEBL-JEHMOTQSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R,5S)-6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143488) is a glucosiduronic acid (CHEBI:24302)