Met009658: Vicenin 1

Metabolite Information

Name

Vicenin 1

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Molecular Formula

C26H28O14

Molecular Weight

564.5

Exact Mass

564.1479056

SMILES

C1C(C(C(C(O1)C2=C(OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)C5=CC=C(C=C5)O)O)O)O

InChIKey

UBAKZDOAVQRDGB-DXNHUJMOSA-N

InChI

InChI=1S/C26H28O14/c27-6-13-18(33)20(35)22(37)26(39-13)15-11(30)5-10(29)14-19(34)16(25-21(36)17(32)12(31)7-38-25)23(40-24(14)15)8-1-3-9(28)4-2-8/h1-5,12-13,17-18,20-22,25-33,35-37H,6-7H2/t12-,13-,17+,18-,20+,21-,22-,25?,26+/m1/s1