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CHEBI:186187 - HTS 01037

ChEBI IDCHEBI:186187
ChEBI NameHTS 01037
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H11NO5S2
Net Charge0
Average Mass337.378
Monoisotopic Mass337.00786
SMILESCOC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)O
InChIInChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
InChIKeyGJODSFZNKNHKML-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
HTS 01037 (CHEBI:186187) is a ring assembly (CHEBI:36820)
HTS 01037 (CHEBI:186187) is a thiophenes (CHEBI:26961)
IUPAC Name 
(E)-4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid
Manual XrefsDatabases
4651972ChemSpider