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Concept information

Preferred term

(2r,3r,4r,5s)-6-[3-acetamido-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

  • C22H23NO10

inchi

  • InChI=1S/C22H23NO10/c1-9-3-5-11(6-4-9)15(25)12-7-13(23-10(2)24)16(26)14(8-12)32-22-19(29)17(27)18(28)20(33-22)21(30)31/h3-8,17-20,22,26-29H,1-2H3,(H,23,24)(H,30,31)/t17-,18-,19+,20-,22?/m0/s1

inchikey

  • DGKWLJHUDSLAAU-QAKXDBDYSA-N

mass

  • 461.420

monoisotopicmass

  • 461.132

smiles

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

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143480

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