Analyte Name

4-(3,4-Dihydroxyphenyl)-7-methoxy-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-2H-1-benzopyran-2-one

CAS Number

116310-59-9

Molecular Formula

C27 H30 O15

Molecular Weight

594.518

Accurate Mass

594.158

SMILES

COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c4C(=CC(=O)Oc4c1)c5ccc(O)c(O)c5

InChI

InChI=1S/C27H30O15/c1-37-11-5-16-20(12(7-19(31)40-16)10-2-3-13(28)14(29)4-10)17(6-11)41-27-25(36)23(34)22(33)18(42-27)9-39-26-24(35)21(32)15(30)8-38-26/h2-7,15,18,21-30,32-36H,8-9H2,1H3/t15-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1

IUPAC

4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat