Met001791: Laricitrin 3,7,5'-triglucoside

Metabolite Information

Name

Laricitrin 3,7,5'-triglucoside

IUPAC Name

5-hydroxy-2-[4-hydroxy-3-methoxy-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Molecular Formula

C34H42O23

Molecular Weight

818.7

Exact Mass

818.2116876

SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O

InChIKey

POYUZVAGWZVXKD-XXVDNWQUSA-N

InChI

InChI=1S/C34H42O23/c1-50-13-2-9(3-14(19(13)39)53-33-28(48)25(45)21(41)16(7-36)55-33)30-31(57-34-29(49)26(46)22(42)17(8-37)56-34)23(43)18-11(38)4-10(5-12(18)52-30)51-32-27(47)24(44)20(40)15(6-35)54-32/h2-5,15-17,20-22,24-29,32-42,44-49H,6-8H2,1H3/t15-,16?,17?,20+,21+,22+,24?,25?,26?,27?,28?,29?,32+,33+,34-/m0/s1