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Concept information

Preferred term

4-hydroxybenzoic acid 4-(6-o-sulfo)glucopyranoside  

Type

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

charge

  • 0

formula

  • C13H16O11S

has_role

inchi

  • InChI=1S/C13H16O11S/c14-9-8(5-22-25(19,20)21)24-13(11(16)10(9)15)23-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)(H,19,20,21)/t8-,9-,10+,11-,13-/m1/s1

inchikey

  • BJNRLZLNIUCLKY-BZNQNGANSA-N

mass

  • 380.32500

monoisotopicmass

  • 380.04133

smiles

  • [H][C@]1(O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)Oc1ccc(cc1)C(O)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70616

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