Epicatechin-(2beta->7,4beta->6)-catechin

Properties Image MNX_ID MNXM125294 reference chebi:168316 formula C30H24O12 global charge 0 mol weight 576.51 InChIKey BEPYKTSNKZMROV-UHFFFAOYSA-N InChI InChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2 SMILES OC1=CC2=C(C(O)=C1)C1C3=C(C=C4OC(C5=CC(O)=C(O)C=C5)C(O)CC4=C3O)OC(C3=CC(O)=C(O)C=C3)(O2)C1O MNX internals InChI (mnx) InChI=1/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2/t20?,26?,28?,29?,30? SMILES (mnx) [CH:1]1=[CH:3][C:15]([OH:32])=[C:17]([OH:34])[CH:5]=[C:11]1[CH:28]1[CH:20]([OH:37])[CH2:9][C:14]2=[C:21]([CH:10]=[C:23]3[C:25](=[C:27]2[OH:38])[CH:26]2[C:24]4=[C:19]([OH:36])[CH:7]=[C:13]([OH:31])[CH:8]=[C:22]4[O:41][C:30]([C:12]4=[CH:6][C:18]([OH:35])=[C:16]([OH:33])[CH:4]=[CH:2]4)([CH:29]2[OH:39])[O:42]3)[O:40]1

Parent-child relations graph

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