Met003200: Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside)

Metabolite Information

Name

Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside)

IUPAC Name

[(3S,4S,6S)-5-[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

Molecular Formula

C29H32O16

Molecular Weight

636.6

Exact Mass

636.1690349

SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)OC)O)O)OC5C(C(CO5)(CO)O)O)O)O

InChIKey

FGALOZIRMNCSRZ-ZKNAJFQVSA-N

InChI

InChI=1S/C29H32O16/c1-12(31)40-9-21-23(35)24(36)25(45-28-26(37)29(38,10-30)11-41-28)27(44-21)42-14-6-16(33)22-17(34)8-19(43-20(22)7-14)13-3-4-18(39-2)15(32)5-13/h3-8,21,23-28,30,32-33,35-38H,9-11H2,1-2H3/t21?,23-,24+,25?,26-,27-,28+,29?/m1/s1