2-O-E-p-coumaroyl alphitolic acid

Properties Image Occurences in reactions MNX_ID MNXM101660 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H54O6 charge 0 mass 618.39204 reference chebi:65662 InChIKey LCHMSLHVXVQJDG-GLDUGTPFSA-N InChI InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30+,32+,33-,36-,37+,38+,39-/m0/s1 SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph