Met003093: Rhamnocitrin 3-(6''-acetylglucoside)

Metabolite Information

Name

Rhamnocitrin 3-(6''-acetylglucoside)

IUPAC Name

[(3R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methyl acetate

Molecular Formula

C24H24O12

Molecular Weight

504.4

Exact Mass

504.1267762

SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O

InChIKey

DDGCBCUITQFEFG-GUWAMKFBSA-N

InChI

InChI=1S/C24H24O12/c1-10(25)33-9-16-18(28)20(30)21(31)24(35-16)36-23-19(29)17-14(27)7-13(32-2)8-15(17)34-22(23)11-3-5-12(26)6-4-11/h3-8,16,18,20-21,24,26-28,30-31H,9H2,1-2H3/t16?,18-,20?,21?,24-/m0/s1