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Concept information

Preferred term

(2r,3r,4r,5s)-6-[3-amino-2-hydroxy-5-(4-methylbenzoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H21NO9

inchi

  • InChI=1S/C20H21NO9/c1-8-2-4-9(5-3-8)13(22)10-6-11(21)14(23)12(7-10)29-20-17(26)15(24)16(25)18(30-20)19(27)28/h2-7,15-18,20,23-26H,21H2,1H3,(H,27,28)/t15-,16-,17+,18-,20?/m0/s1

inchikey

  • OUBAZMITWLLWIG-BCHVZBRRSA-N

mass

  • 419.383

monoisotopicmass

  • 419.122

smiles

  • O=C(C1=CC(OC2O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]2O)O)=C(O)C(=C1)N)C3=CC=C(C)C=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143477

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