chlorajaponilide A

Properties Image Occurences in reactions MNX_ID MNXM103755 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H40O13 charge 0 mass 716.24689 reference chebi:69777 InChIKey KWQBVPDAXNTKKY-RQRDWLNHSA-N InChI InChI=1S/C39H40O13/c1-15-7-28(42)50-14-37(46)23-9-22(23)35(3)24(37)10-20-18(13-49-27(41)6-5-26(40)48-12-15)34(45)52-38(20)25(35)11-21-17-8-19(17)36(4)32(43)30-29(16(2)33(44)51-30)31(38)39(21,36)47/h7,11,17,19,22-25,30-31,46-47H,5-6,8-10,12-14H2,1-4H3/b15-7+/t17-,19+,22+,23-,24+,25-,30-,31+,35-,36+,37-,38-,39+/m0/s1 SMILES CC1=C2[C@H](OC1=O)C(=O)[C@@]1(C)[C@@H]3C[C@@H]3C3=C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C=C(\C)COC(=O)CCC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@@H]2[C@]31O

Parent-child relations graph

Deprecated MNXref IDs graph