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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > esculin
coumarins > hydroxycoumarin > esculin

Preferred term

esculin  

Type

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

Broader concept

charge

  • 0

formula

  • C15H16O9

has_functional_parent

has_role

inchi

  • InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1

inchikey

  • XHCADAYNFIFUHF-TVKJYDDYSA-N

mass

  • 340.28210

monoisotopicmass

  • 340.07943

smiles

  • OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside
  • Esculin

synonym RELATED

  • 6,7-Dihydroxycoumarin 6-glucoside
  • 6,7-Dihydroxycoumarin-6-O-glucoside
  • 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
  • 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin
  • 7-Hydroxy-6-glucosyloxy-2H-chromene
  • Aesculin
  • esculetin 6-beta-D-glucoside
  • Esculetin 6-O-glucoside
  • Esculoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4853

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