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CHEBI:214508 - Aspergamide A

ChEBI IDCHEBI:214508
ChEBI NameAspergamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16ClNO6
Net Charge0
Average Mass341.747
Monoisotopic Mass341.06661
SMILESCOC(=O)/C=C/C(=O)N[C@H](Cc1ccc(Cl)c(O)c1)C(=O)OC
InChIInChI=1S/C15H16ClNO6/c1-22-14(20)6-5-13(19)17-11(15(21)23-2)7-9-3-4-10(16)12(18)8-9/h3-6,8,11,18H,7H2,1-2H3,(H,17,19)/b6-5+/t11-/m1/s1
InChIKeyRDLVXAOHDYIKEO-MVIFTORASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1007/s10600-020-02955-x)
ChEBI Ontology
Outgoing Relation(s)
Aspergamide A (CHEBI:214508) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
methyl (E)-4-[[(2R)-3-(4-chloro-3-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobut-2-enoate