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Substance Name: 3'-O-(beta-Hydroxyethyl)rutoside
RN: 125092-04-8
UNII: 3S989A33QR
InChIKey: KMQBDKNWNLORNQ-BDAFLREQSA-N

Molecular Formula

  • C29-H34-O17

Molecular Weight

  • 654.5706
 
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Names and Synonyms

Name of Substance

  • 3'-O-(beta-Hydroxyethyl)rutoside

Synonyms

  • 3'-O-(beta-Hydroxyethyl)rutoside
  • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-(2-hydroxyethoxy)phenyl)-
  • O-(beta-Hydroxyethyl)rutoside, 3'-
  • UNII-3S989A33QR

Registry Numbers

CAS Registry Number

  • 125092-04-8

FDA UNII

  • 3S989A33QR

System Generated Number

  • 0125092048

Structure Descriptors

InChI

1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-14(33)7-12(31)8-16(18)44-26(27)11-2-3-13(32)15(6-11)41-5-4-30/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1

InChIKey

KMQBDKNWNLORNQ-BDAFLREQSA-N

Smiles

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(OCCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O