epitheaflagallin

Properties Image MNX_ID MNXM144759 reference chebi:233998 formula C20H16O9 global charge 0 mol weight 400.339 InChIKey KOXRJHMEFYNYME-JLTOFOAXSA-N InChI InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)/t14-,20-/m1/s1 SMILES O=C1C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C2C=C(O)C(O)=C(O)C2=C1O MNX internals InChI (mnx) InChI=1/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)/t14-,20-/m1/s1 SMILES (mnx) [CH:1]1=[C:7]2[CH:2]=[C:13]([OH:24])[C:18]([OH:27])=[C:19]([OH:28])[C:16]2=[C:17]([OH:26])[C:12](=[O:23])[CH:3]=[C:8]1[C@@H:20]1[C@H:14]([OH:25])[CH2:6][C:10]2=[C:11]([OH:22])[CH:4]=[C:9]([OH:21])[CH:5]=[C:15]2[O:29]1

Parent-child relations graph

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