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CHEBI:192569 - trans-Clovamide

ChEBI IDCHEBI:192569
ChEBI Nametrans-Clovamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17NO7
Net Charge0
Average Mass359.334
Monoisotopic Mass359.10050
SMILESO=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3+/t12-/m0/s1
InChIKeyGPZFXSWMDFBRGS-UXONFWTHSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
trans-Clovamide (CHEBI:192569) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid
Manual XrefsDatabases
5005898ChemSpider
Registry NumbersSources
CAS:53755-02-5ChemIDplus