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Substance Name: Grayanin
RN: 110978-97-7
InChIKey: HUKWADINTARKBT-DDYRGYEHSA-N

Molecular Formula

  • C23-H23-N-O9

Molecular Weight

  • 457.433
 
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Names and Synonyms

Results Name

  • Grayanin

Synonym

  • Grayanin

Systematic Name

  • Benzeneacetonitrile, alpha-((6-O-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-, (R-(E))-

Registry Numbers

CAS Registry Number

  • 110978-97-7

System Generated Number

  • 0110978977

Structure Descriptors

InChI

1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2/b9-7+/t17-,18+,20+,21-,22+,23+/m0/s1

InChIKey

HUKWADINTARKBT-DDYRGYEHSA-N

Smiles

c1(ccccc1)[C@H](C#N)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(\C=C\c1cc(c(cc1)O)O)=O