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Concept information

Preferred term

ATEE  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C13H17NO4.H2O

inchi

  • InChI=1S/C13H17NO4.H2O/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10;/h4-7,12,16H,3,8H2,1-2H3,(H,14,15);1H2/t12-;/m0./s1

inchikey

  • YWAVLHZJMWEYTA-YDALLXLXSA-N

mass

  • 269.297

monoisotopicmass

  • 269.12632

smiles

  • O(C(=O)[C@@H](NC(=O)C)CC1=CC=C(O)C=C1)CC.O

subset

  • 2_STAR

synonym EXACT

  • ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate.hydrate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177653

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