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CHEBI:210955 - Phomarosine A

ChEBI IDCHEBI:210955
ChEBI NamePhomarosine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO5
Net Charge0
Average Mass251.238
Monoisotopic Mass251.07937
SMILESCOC(=O)[C@@H](NC(C)=O)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H13NO5/c1-7(14)13-10(12(17)18-2)11(16)8-3-5-9(15)6-4-8/h3-6,10,15H,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyKEEDKENHSWAXTE-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/j.tet.2017.06.025)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phomarosine A (CHEBI:210955) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)-3-oxopropanoate
Manual XrefsDatabases
78439172ChemSpider