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Substance Name: 5-Methylcoumarin-4-cellobioside
RN: 109974-31-4
InChIKey: HKXDQRBBOHHCKP-KGGQWWQZSA-N

Note

  • From Gerbera anandria.

Molecular Weight

  • 500.45
 
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Names and Synonyms

Name of Substance

  • 5-Methylcoumarin-4-cellobioside

Synonym

  • 5-Mccb

Registry Numbers

CAS Registry Number

  • 109974-31-4

System Generated Number

  • 0109974314

Structure Descriptors

InChI

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

InChIKey

HKXDQRBBOHHCKP-KGGQWWQZSA-N

Smiles

c1(cc(c2c(o1)cccc2C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@H](O1)CO)=O