Met008237: Ficusesquilignan B

Metabolite Information

Name

Ficusesquilignan B

IUPAC Name

2-[5-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

Molecular Formula

C31H36O11

Molecular Weight

584.6

Exact Mass

584.225762

SMILES

COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC)OC(CO)C(C5=CC(=C(C=C5)O)OC)O

InChIKey

GWAGNJOOCODQGM-WBHAYQECSA-N

InChI

InChI=1S/C31H36O11/c1-36-22-8-6-17(10-24(22)42-27(13-32)28(34)16-5-7-21(33)23(9-16)37-2)30-19-14-41-31(20(19)15-40-30)18-11-25(38-3)29(35)26(12-18)39-4/h5-12,19-20,27-28,30-35H,13-15H2,1-4H3/t19-,20-,27?,28?,30+,31+/m1/s1