Met008239: Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside]

Metabolite Information

Name

Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside]

IUPAC Name

4-[(E)-3-[6-[[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

Molecular Formula

C30H48O17

Molecular Weight

680.7

Exact Mass

680.2891501

SMILES

CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)COC3C(C(C(CO3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)(C)C

InChIKey

UGIAZMRSYPJDAZ-AATRIKPKSA-N

InChI

InChI=1S/C30H48O17/c1-12-7-14(32)8-29(3,4)30(12,41)6-5-13(2)44-27-24(39)22(37)19(34)16(46-27)10-42-26-23(38)20(35)17(11-43-26)47-28-25(40)21(36)18(33)15(9-31)45-28/h5-7,13,15-28,31,33-41H,8-11H2,1-4H3/b6-5+