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CHEBI:200317 - (-)-xylariamide A

Default Structure
ChEBI IDCHEBI:200317
ChEBI Name(-)-xylariamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14ClNO6
Net Charge0
Average Mass327.720
Monoisotopic Mass327.05096
SMILESCOC(=O)/C=C/C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m1/s1
InChIKeyKCOKHEIACSQLBQ-ORAHPGNNSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - PubMed (15921427)
ChEBI Ontology
Outgoing Relation(s)
(-)-xylariamide A (CHEBI:200317) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(2R)-3-(3-chloro-4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
Manual XrefsDatabases
9465348ChemSpider