Substance
  • Substance Name: baicalin
  • Formula: C21H18O11
  • Molecular Weight: 446.4 g/mol
  • Identifiers:
    • inchi: InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
    • inchikey: IKIIZLYTISPENI-ZFORQUDYSA-N
    • casrn: 21967-41-9
    • csmiles: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
    • ismiles: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
    • pubchemId: 64982
    • iupacname: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • wikidataId: Q2879368
    • chemspiderId: 58507
    • chemblId: CHEMBL485818
    • ecnumber: 606-866-1
baicalin
Systems and Datasets