4'-O-Methylcatechin

Properties Image MNX_ID MNXM45809 reference hmdb:HMDB0030662 formula C16H16O6 global charge 0 mol weight 304.298 InChIKey ZHDMPVIDHWJGTN-UHFFFAOYSA-N InChI InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3 SMILES COC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3CC2O)C=C1 MNX internals InChI (mnx) InChI=1/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13?,16? SMILES (mnx) [CH3:1][O:21][C:14]1=[C:12]([OH:19])[CH:4]=[C:8]([CH:16]2[CH:13]([OH:20])[CH2:7][C:10]3=[C:11]([OH:18])[CH:5]=[C:9]([OH:17])[CH:6]=[C:15]3[O:22]2)[CH:2]=[CH:3]1

Parent-child relations graph

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