Description
IUPAC Name: (Z)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid
InChI: InChI=1S/C17H18O9/c18-7-11-13(21)14(22)15(23)17(25-11)26-16-8(2-4-12(19)20)1-3-10-9(16)5-6-24-10/h1-6,11,13-15,17-18,21-23H,7H2,(H,19,20)/b4-2-/t11-,13-,14+,15-,17+/m1/s1
InChIKey: CAMYXILYLXYDFE-MIVOEOINSA-N
Canonical SMILES: C1=CC2=C(C=CO2)C(=C1C=CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: C1=CC2=C(C=CO2)C(=C1/C=CC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Synonyms: Isopsoralenoside; 905954-18-9; (Z)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid; HY-N7504; AKOS040760166; AC-35055; DA-64562; MS-25853; …
Botanical Source: Bupleuri Radix; Puerariae lobatae radix