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CHEBI:192677 - 2-{1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl}acetic acid

ChEBI IDCHEBI:192677
ChEBI Name2-{1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21NO3S
Net Charge0
Average Mass331.437
Monoisotopic Mass331.12421
SMILESO=C(O)CC1(CC(=O)Nc2ccc3sccc3c2)CCCCC1
InChIInChI=1S/C18H21NO3S/c20-16(11-18(12-17(21)22)7-2-1-3-8-18)19-14-4-5-15-13(10-14)6-9-23-15/h4-6,9-10H,1-3,7-8,11-12H2,(H,19,20)(H,21,22)
InChIKeyPGPOKSLHDCLRLU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
2-{1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl}acetic acid (CHEBI:192677) is a 1-benzothiophenes (CHEBI:38836)
IUPAC Name 
2-[1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl]acetic acid
Manual XrefsDatabases
2019956ChemSpider