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Substance Name: beta-D-Glucopyranosiduronic acid, 2-hydroxy-5-methylphenyl
RN: 117591-51-2
InChIKey: UQDOAPRFPPMAOO-XPORZQOISA-N

Molecular Formula

  • C13-H16-O8

Molecular Weight

  • 300.261
 
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Names and Synonyms

Synonym

  • 4-Methylcatechol-2-O-beta-D-glucopyranuronic acid

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 2-hydroxy-5-methylphenyl

Registry Numbers

CAS Registry Number

  • 117591-51-2

System Generated Number

  • 0117591512

Structure Descriptors

InChI

1S/C13H16O8/c1-5-2-3-6(14)7(4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9-,10+,11-,13+/m0/s1

InChIKey

UQDOAPRFPPMAOO-XPORZQOISA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)c1c(ccc(c1)C)O