Met002451: Cuniloside

Metabolite Information

Name

Cuniloside

IUPAC Name

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

Molecular Formula

C26H40O10

Molecular Weight

512.6

Exact Mass

512.2621475

SMILES

CC(C)(C1CCC(=CC1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CCC(CC3)C(C)(C)O)O)O)O)O

InChIKey

JOLLIDAUJSAZHE-NXLZJJLUSA-N

InChI

InChI=1S/C26H40O10/c1-25(2,32)16-9-5-14(6-10-16)22(30)34-13-18-19(27)20(28)21(29)24(35-18)36-23(31)15-7-11-17(12-8-15)26(3,4)33/h5,7,16-21,24,27-29,32-33H,6,8-13H2,1-4H3/t16?,17?,18-,19-,20+,21-,24+/m1/s1