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Concept information

Preferred term

گوسی پتین 8 گلوکورونید 3 سولفات  

Type

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

charge

  • 0

formula

  • C21H18O17S

inchi

  • InChI=1S/C21H18O17S/c22-6-2-1-5(3-7(6)23)15-18(38-39(32,33)34)11(26)10-8(24)4-9(25)16(17(10)35-15)36-21-14(29)12(27)13(28)19(37-21)20(30)31/h1-4,12-14,19,21-25,27-29H,(H,30,31)(H,32,33,34)/t12-,13-,14?,19?,21+/m0/s1

inchikey

  • HUZYIABAGFALTN-LFPOBHQBSA-N

mass

  • 574.420

monoisotopicmass

  • 574.02647

smiles

  • S(OC=1C(=O)C2=C(OC1C3=CC(O)=C(O)C=C3)C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)C(O)=O)=C(O)C=C2O)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-sulooxychromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169307

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