Isobiflorin 6''-gallate

Properties Image MNX_ID MNXM126793 reference hmdb:HMDB0040633 formula C23H22O13 global charge 0 mol weight 506.416 InChIKey LEHONRZMEVUGDI-UHFFFAOYSA-N InChI InChI=1S/C23H22O13/c1-7-2-9(24)15-10(25)5-11(26)16(21(15)35-7)22-20(32)19(31)18(30)14(36-22)6-34-23(33)8-3-12(27)17(29)13(28)4-8/h2-5,14,18-20,22,25-32H,6H2,1H3 SMILES CC1=CC(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)=C2O1 MNX internals InChI (mnx) InChI=1/C23H22O13/c1-7-2-9(24)15-10(25)5-11(26)16(21(15)35-7)22-20(32)19(31)18(30)14(36-22)6-34-23(33)8-3-12(27)17(29)13(28)4-8/h2-5,14,18-20,22,25-32H,6H2,1H3/t14?,18?,19?,20?,22? SMILES (mnx) [CH3:1][C:7]1=[CH:2][C:9](=[O:24])[C:15]2=[C:10]([OH:25])[CH:5]=[C:11]([OH:26])[C:16]([CH:22]3[CH:20]([OH:32])[CH:19]([OH:31])[CH:18]([OH:30])[CH:14]([CH2:6][O:34][C:23]([C:8]4=[CH:3][C:12]([OH:27])=[C:17]([OH:29])[C:13]([OH:28])=[CH:4]4)=[O:33])[O:36]3)=[C:21]2[O:35]1

Parent-child relations graph

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