Met000290: Limocitrin 7-(6''-acetylglucoside)

Metabolite Information

Name

Limocitrin 7-(6''-acetylglucoside)

IUPAC Name

[6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Molecular Formula

C25H26O14

Molecular Weight

550.5

Exact Mass

550.1322555

SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)OC)O)OC)O)O)O

InChIKey

HKJIEFCRBAQGKS-UHFFFAOYSA-N

InChI

InChI=1S/C25H26O14/c1-9(26)36-8-15-17(29)19(31)21(33)25(38-15)37-14-7-12(28)16-18(30)20(32)22(39-24(16)23(14)35-3)10-4-5-11(27)13(6-10)34-2/h4-7,15,17,19,21,25,27-29,31-33H,8H2,1-3H3