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Substance Name: 5-Methylcoumarin-4-gentiobioside
RN: 109974-32-5
InChIKey: LGVTTZBZMYKZOR-NYKIBTIESA-N

Note

  • From Gerbera anandria.

Molecular Formula

  • C22-H28-O13

Molecular Weight

  • 500.4502
 
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Names and Synonyms

Name of Substance

  • 5-Methylcoumarin-4-gentiobioside

Synonym

  • 5-Mcgb

Systematic Name

  • 2H-1-Benzopyran-2-one, 4-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5-methyl-

Registry Numbers

CAS Registry Number

  • 109974-32-5

System Generated Number

  • 0109974325

Structure Descriptors

InChI

1S/C22H28O13/c1-8-3-2-4-9-14(8)10(5-13(24)32-9)33-22-20(30)18(28)16(26)12(35-22)7-31-21-19(29)17(27)15(25)11(6-23)34-21/h2-5,11-12,15-23,25-30H,6-7H2,1H3/t11-,12-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1

InChIKey

LGVTTZBZMYKZOR-NYKIBTIESA-N

Smiles

Cc1cccc2c1c(cc(=O)o2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O