Met003725: Gnetifolin K

Metabolite Information

Name

Gnetifolin K

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-2-methoxyphenoxy]oxane-3,4,5-triol

Molecular Formula

C27H34O14

Molecular Weight

582.5

Exact Mass

582.1948558

SMILES

COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

InChIKey

SKQIOEZYEYGYEH-KFPNGALKSA-N

InChI

InChI=1S/C27H34O14/c1-37-17-8-12(4-5-16(17)39-27-25(36)23(34)21(32)19(11-29)41-27)2-3-13-6-14(30)9-15(7-13)38-26-24(35)22(33)20(31)18(10-28)40-26/h2-9,18-36H,10-11H2,1H3/b3-2+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1