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Substance Name: Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-
RN: 72523-59-2
InChIKey: WIIDBJNWXCWLKF-GFYNENCFSA-N

Molecular Weight

  • 329.303
 
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Names and Synonyms

  • Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-

Registry Numbers

CAS Registry Number

  • 72523-59-2

System Generated Number

  • 0072523592

Structure Descriptors

InChI

1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9-,10+,11-,12+,13-,14-/m0/s1

InChIKey

WIIDBJNWXCWLKF-GFYNENCFSA-N

Smiles

C(\C=C1\C=C[C@@H]([C@@H]([C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)O)#N