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Concept information

Preferred term

6 --- [5-هیدروکسی-3- (2-هیدروکسی فنیل) -4-oxo-4H-chromen-6-yl] -l-gulonate  

Type

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

Broader concept

charge

  • -1

formula

  • C21H19O11

inchi

  • InChI=1S/C21H20O11/c22-11-4-2-1-3-9(11)10-7-31-13-5-6-14(18(26)15(13)16(10)24)32-8-12(23)17(25)19(27)20(28)21(29)30/h1-7,12,17,19-20,22-23,25-28H,8H2,(H,29,30)/p-1/t12-,17+,19-,20-/m0/s1

inchikey

  • UEEJTESQJBYIKX-MJBIGMRFSA-M

mass

  • 447.36900

monoisotopicmass

  • 447.09329

smiles

  • O[C@@H](COc1ccc2occ(-c3ccccc3O)c(=O)c2c1O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-{[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}hexanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:55450

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