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Substance Name: 6-Hydroxymelatonin glucuronide
RN: 94840-69-4
InChIKey: ABFAMHIWAGQWGO-CTRAYCPCSA-N

Note

  • Metabolite of melatonin.

Molecular Formula

  • C19-H24-N2-O9

Molecular Weight

  • 424.4036
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxymelatonin glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 3-(2-(acetylamino)-5-methoxy-1H-indol-6-yl)-

Registry Numbers

CAS Registry Number

  • 94840-69-4

System Generated Number

  • 0094840694

Structure Descriptors

InChI

1S/C19H24N2O9/c1-10(22)20-8-6-18(27)14(23)15(30-19(28-2,16(18)24)17(25)26)29-12-4-3-11-5-7-21-13(11)9-12/h3-5,7,9,14-16,21,23-24,27H,6,8H2,1-2H3,(H,20,22)(H,25,26)/t14-,15+,16-,18+,19-/m0/s1

InChIKey

ABFAMHIWAGQWGO-CTRAYCPCSA-N

Smiles

CC(=O)NCC[C@]1([C@H]([C@@H](O[C@@]([C@H]1O)(C(=O)O)OC)Oc2ccc3cc[nH]c3c2)O)O