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Concept information

Preferred term

کامفرول 5 O گلوکورونید  

Type

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

charge

  • 0

formula

  • C21H18O12

inchi

  • InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)18-15(26)13(24)12-10(31-18)5-9(23)6-11(12)32-21-17(28)14(25)16(27)19(33-21)20(29)30/h1-6,14,16-17,19,21-23,25-28H,(H,29,30)/t14-,16-,17+,19-,21+/m0/s1

inchikey

  • AESGYRCGOWUBNU-JENRNSKYSA-N

mass

  • 462.36040

monoisotopicmass

  • 462.07983

smiles

  • O[C@H]1[C@H](Oc2cc(O)cc3oc(-c4ccc(O)cc4)c(O)c(=O)c23)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 3,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl beta-D-glucopyranosiduronic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:75723

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