chlorajaponilide C

Properties Image Occurences in reactions MNX_ID MNXM103757 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C41H48O14 charge 0 mass 764.30441 reference chebi:69779 InChIKey BZYXGNOWZQQMDJ-JGJIUCFZSA-N InChI InChI=1S/C41H48O14/c1-17(14-42)9-30(45)54-16-40(50)25-12-24(25)38(3)26(40)13-23-21(15-53-29(44)8-7-28(43)51-5)37(49)55-41(23)27(38)11-20-19-10-22(19)39(4)32(20)33(41)31(34(46)35(39)47)18(2)36(48)52-6/h9,19,22,24-27,33,35,42,47,50H,7-8,10-16H2,1-6H3/b17-9+,31-18-/t19-,22-,24-,25+,26-,27+,33+,35+,38+,39+,40+,41+/m1/s1 SMILES COC(=O)CCC(=O)OCC1=C2C[C@H]3[C@](O)(COC(=O)/C=C(\C)CO)[C@H]4C[C@H]4[C@]3(C)[C@@H]3CC4=C5[C@H](/C(=C(\C)C(=O)OC)C(=O)[C@H](O)[C@@]5(C)[C@@H]5C[C@H]45)[C@]23OC1=O

Parent-child relations graph

Deprecated MNXref IDs graph