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Substance Name: Amygdalinic acid
RN: 66427-92-7
InChIKey: IHWHGPUDYPIVLL-BFMJJVGDSA-N

Molecular Formula

  • C20-H28-O13

Molecular Weight

  • 476.4282
 
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Names and Synonyms

Results Name

  • Amygdalinic acid

Synonym

  • Amygdalinic acid

Systematic Name

  • Benzeneacetic acid, alpha-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-, (R)-

Registry Numbers

CAS Registry Number

  • 66427-92-7

System Generated Number

  • 0066427927

Structure Descriptors

InChI

1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1

InChIKey

IHWHGPUDYPIVLL-BFMJJVGDSA-N

Smiles

c1ccc(cc1)[C@H](C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O