Hamamelitannin

Properties Image MNX_ID MNXM126367 reference chebi:191119 formula C20H20O14 global charge 0 mol weight 484.366 InChIKey FEPAFOYQTIEEIS-WZKFEGCESA-N InChI InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1 SMILES O=C(OC[C@@H]1OC(O)[C@](O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1 SMILES (mnx) [CH:1]1=[C:7]([C:17](=[O:28])[O:32][CH2:5][C@H:13]2[C@H:16]([OH:27])[C@:20]([CH2:6][O:33][C:18]([C:8]3=[CH:3][C:11]([OH:23])=[C:15]([OH:26])[C:12]([OH:24])=[CH:4]3)=[O:29])([OH:31])[CH:19]([OH:30])[O:34]2)[CH:2]=[C:10]([OH:22])[C:14]([OH:25])=[C:9]1[OH:21]

Parent-child relations graph

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