Chemical Component Summary

Name5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
SynonymsBaicalin
Identifiers(2S,3S,4S,5R,6S)-6-[5,6-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
FormulaC21 H18 O11
Molecular Weight446.361
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2
InChIInChI=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
InChIKeyIKIIZLYTISPENI-ZFORQUDYSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count5
Bond Count53
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 64982
ChEMBL CHEMBL485818
ChEBI CHEBI:2981