Met007284: 6-C-Rhamnopyranosylrhamnetin 3-O-glucopyranoside

Metabolite Information

Name

6-C-Rhamnopyranosylrhamnetin 3-O-glucopyranoside

IUPAC Name

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one

Molecular Formula

C28H32O16

Molecular Weight

624.5

Exact Mass

624.1690349

SMILES

CC1C(C(C(C(O1)C2=C(C=C3C(=C2O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)O

InChIKey

HXSUAGOTPOGJDV-QMGCMQEQSA-N

InChI

InChI=1S/C28H32O16/c1-8-17(32)21(36)23(38)26(41-8)16-12(40-2)6-13-15(19(16)34)20(35)27(25(42-13)9-3-4-10(30)11(31)5-9)44-28-24(39)22(37)18(33)14(7-29)43-28/h3-6,8,14,17-18,21-24,26,28-34,36-39H,7H2,1-2H3/t8?,14?,17-,18+,21?,22-,23-,24?,26-,28-/m0/s1