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CHEBI:201376 - Desethyl KBT-3022

ChEBI IDCHEBI:201376
ChEBI NameDesethyl KBT-3022
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SubmitterMetaboLights
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FormulaC23H20N2O4S
Net Charge0
Average Mass420.490
Monoisotopic Mass420.11438
SMILESCOc1ccc(-c2nc(-c3cccn3CC(=O)O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O4S/c1-28-17-9-5-15(6-10-17)21-22(16-7-11-18(29-2)12-8-16)30-23(24-21)19-4-3-13-25(19)14-20(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyKJSPVPWIMGZXOF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Desethyl KBT-3022 (CHEBI:201376) has functional parent α-amino acid (CHEBI:33704)
Desethyl KBT-3022 (CHEBI:201376) is a organonitrogen compound (CHEBI:35352)
Desethyl KBT-3022 (CHEBI:201376) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid
Manual XrefsDatabases
HMDB0251035HMDB
113311ChemSpider