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Substance Name: Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-
RN: 82083-98-5
InChIKey: KVKFUQZWWCGWAN-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O11

Molecular Weight

  • 443.402
 
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Names and Synonyms

  • Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-

Registry Numbers

CAS Registry Number

  • 82083-98-5

System Generated Number

  • 0082083985

Structure Descriptors

InChI

1S/C19H25NO11/c20-5-11(8-2-1-3-9(21)4-8)30-19-17(27)15(25)14(24)12(31-19)7-29-18-16(26)13(23)10(22)6-28-18/h1-4,10-19,21-27H,6-7H2

InChIKey

KVKFUQZWWCGWAN-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)C1)O)OC[C@@H]1O[C@@H](O[C@@H](c2cccc(c2)O)C#N)[C@@H](O)[C@@H](O)[C@@H]1O