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Substance Name: Apiin
RN: 26544-34-3
UNII: 6QU3EZE37U
InChIKey: NTDLXWMIWOECHG-YRCFQSNFSA-N

Molecular Formula

  • C26-H28-O14

Molecular Weight

  • 564.4932
 
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Names and Synonyms

Name of Substance

  • Apiin

Synonyms

  • Apigenin-7-apioglucoside
  • EINECS 247-780-0
  • UNII-6QU3EZE37U

Systematic Names

  • 7-((2-O-beta-D-Apiofuranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyranone
  • 7-((2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Registry Numbers

CAS Registry Number

  • 26544-34-3

FDA UNII

  • 6QU3EZE37U

System Generated Number

  • 0026544343

Structure Descriptors

InChI

1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1

InChIKey

NTDLXWMIWOECHG-YRCFQSNFSA-N

Smiles

OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O