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Substance Name: Brassicine
RN: 6743-96-0
InChIKey: YCUNOXSUHVGZRI-XMHBHJPISA-N

Molecular Formula

  • C22-H22-O12

Molecular Weight

  • 478.4038
 
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Names and Synonyms

Results Name

  • Brassicine

Synonyms

  • 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • Brassicin
  • Isorhamnetin 7-glucoside

Systematic Name

  • 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 6743-96-0

System Generated Number

  • 0006743960

Structure Descriptors

InChI

1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m1/s1

InChIKey

YCUNOXSUHVGZRI-XMHBHJPISA-N

Smiles

COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2