1-O-Feruloyl-beta-D-glucose

Properties Image MNX_ID MNXM819705 reference sabiorkM:30196 formula C16H20O9 global charge 0 mol weight 356.327 InChIKey ADHNTNYEJYJUCU-HWKANZROSA-N InChI InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+ SMILES COC1=C(O)C=CC(/C=C/C(=O)OC2C(O)OC(CO)C(O)C2O)=C1 MNX internals InChI (mnx) InChI=1/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11?,13?,14?,15?,16? SMILES (mnx) [CH3:1][O:23][C:10]1=[C:9]([OH:18])[CH:4]=[CH:2][C:8](/[CH:3]=[CH:5]/[C:12](=[O:19])[O:25][CH:15]2[CH:14]([OH:21])[CH:13]([OH:20])[CH:11]([CH2:7][OH:17])[O:24][CH:16]2[OH:22])=[CH:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0