18-carboxy candicinolide

Properties Image Occurences in reactions MNX_ID MNXM147367 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0 formula C53H72NO14 charge -1 mass 946.49583 reference metacycM:CPD-17210 InChIKey ITSANPHVODIHLR-YERMFOBOSA-M InChI InChI=1S/C53H73NO14/c1-35-18-14-12-10-8-6-4-5-7-9-11-13-15-19-42(57)30-48-50(52(64)65)47(62)34-53(66,68-48)33-44(59)29-41(56)22-16-20-40(55)21-17-23-43(58)31-49(63)67-51(35)37(3)28-36(2)45(60)32-46(61)38-24-26-39(54)27-25-38/h4-15,18-19,24-27,35-37,41-42,44-45,47-48,50-51,56-57,59-60,62,66H,16-17,20-23,28-34,54H2,1-3H3,(H,64,65)/p-1/b5-4+,8-6+,9-7+,12-10+,13-11+,18-14+,19-15+ SMILES CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(O)CC2OC(O)(CC(O)CC(O)CCCC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph