deapio-platyconic acid B lactone

Properties Image Occurences in reactions MNX_ID MNXM104252 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C58H90O29 charge 0 mass 1250.55678 reference chebi:70433 InChIKey AEPOICLPQIZZPB-PHOUOENISA-N InChI InChI=1S/C58H90O29/c1-21-43(84-47-39(71)32(64)24(61)17-77-47)38(70)42(74)48(80-21)85-44-33(65)25(62)18-78-50(44)87-51(75)57-12-11-53(2,3)13-23(57)22-7-8-29-54(4)14-26-45(58(20-60,52(76)83-26)30(54)9-10-55(29,5)56(22,6)15-31(57)63)86-49-41(73)37(69)35(67)28(82-49)19-79-46-40(72)36(68)34(66)27(16-59)81-46/h7,21,23-50,59-74H,8-20H2,1-6H3/t21-,23-,24+,25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46+,47-,48-,49-,50-,54+,55+,56+,57+,58+/m0/s1 SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@@H]7OC(=O)[C@@](CO)([C@H]7O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph