Met002098: [3aR-(3aR,5E,7R,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid

Metabolite Information

Name

[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid

IUPAC Name

[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3aR,5E,7S,9E,11aS)-7-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carboxylate

Molecular Formula

C21H28O10

Molecular Weight

440.4

Exact Mass

440.1682471

SMILES

CC1=CCC2C(CC(=CCC1O)C(=O)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C2=C

InChIKey

MUYHZEOCHWIVHX-HIVJNEQVSA-N

InChI

InChI=1S/C21H28O10/c1-9-3-5-12-10(2)19(27)29-14(12)7-11(4-6-13(9)23)20(28)31-21-18(26)17(25)16(24)15(8-22)30-21/h3-4,12-18,21-26H,2,5-8H2,1H3/b9-3+,11-4+/t12-,13+,14+,15-,16+,17+,18-,21+/m1/s1

Met002098: [3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid

Met002098: [3aR-(3aR,5E,7R,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid