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Concept information

Preferred term

triclosan glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C18H15Cl3O8

inchi

  • InChI=1S/C18H15Cl3O8/c19-7-1-3-10(9(21)5-7)27-11-4-2-8(20)6-12(11)28-18-15(24)13(22)14(23)16(29-18)17(25)26/h1-6,13-16,18,22-24H,(H,25,26)/t13-,14-,15+,16-,18+/m0/s1

inchikey

  • DNYVWBJVOYZRCX-RNGZQALNSA-N

mass

  • 465.666

monoisotopicmass

  • 463.98325

smiles

  • C=1(C=C(C=CC1OC=2C(=CC(=CC2)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89302

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