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Substance Name: Herbacin
RN: 11021-22-0
InChIKey: WWEKCPWUOZWBRI-USXYKIIOSA-N

Molecular Formula

  • C21-H20-O12

Molecular Weight

  • 464.377
 
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Names and Synonyms

Results Name

  • Herbacin

Synonyms

  • 8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Herbacetin 8-O-glucoside
  • Herbacin

Systematic Name

  • 4H-1-Benzopyran-4-one, 8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 11021-22-0

System Generated Number

  • 0011021220

Structure Descriptors

InChI

1S/C21H20O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15,17,21-26,28-30H,6H2/t11-,13-,15+,17-,21+/m0/s1

InChIKey

WWEKCPWUOZWBRI-USXYKIIOSA-N

Smiles

OC[C@@H]1O[C@H](Oc2c(O)cc(O)c3C(=O)C(=C(Oc23)c4ccc(O)cc4)O)[C@@H](O)[C@H](O)[C@H]1O