Met002210: Isosyringinoside

Metabolite Information

Name

Isosyringinoside

IUPAC Name

(2S,3S,4R,5R,6S)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Molecular Formula

C23H34O14

Molecular Weight

534.5

Exact Mass

534.1948558

SMILES

COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCOC3C(C(C(C(O3)CO)O)O)O

InChIKey

RYVGCUJETSKZDU-NXJCARKOSA-N

InChI

InChI=1S/C23H34O14/c1-32-11-6-10(4-3-5-34-22-19(30)17(28)15(26)13(8-24)35-22)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(9-25)36-23/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14+,15-,16+,17+,18-,19-,20+,22-,23-/m0/s1