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Substance Name: Neobacin
RN: 108069-00-7
InChIKey: MYYACPYOKARWKL-UHFFFAOYSA-N

Molecular Formula

  • C26-H28-O14

Molecular Weight

  • 564.493
 
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Names and Synonyms

Results Name

  • Neobacin

Synonyms

  • (-)-Neobacin
  • Neobacin

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-(4-(D-apio-beta-D-furanosyloxy)phenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-

Registry Numbers

CAS Registry Number

  • 108069-00-7

System Generated Number

  • 0108069007

Structure Descriptors

InChI

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

InChIKey

MYYACPYOKARWKL-UHFFFAOYSA-N

Smiles

c1(cc(cc2c1c(c(co2)c1ccc(cc1)O[C@@H]1[C@@H]([C@@](O)(CO1)CO)O)=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)O