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Concept information

Preferred term

ایزوسکوپارین  

Type

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

alt_id

  • CHEBI:14480
  • CHEBI:24924
  • CHEBI:6057

charge

  • 0

formula

  • C22H22O11

inchi

  • InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1

inchikey

  • KOMUHHCFAXYRPO-DGHBBABESA-N

mass

  • 462.40348

monoisotopicmass

  • 462.11621

smiles

  • COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1

subset

  • 3_STAR

synonym EXACT

  • (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
  • isoscoparin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:18200

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