18-oxo candicinolide

Properties Image Occurences in reactions MNX_ID MNXM147694 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0 formula C53H73NO13 charge 0 mass 931.50819 reference metacycM:CPD-17209 InChIKey ADKZMEDCBQEYIF-YERMFOBOSA-N InChI InChI=1S/C53H73NO13/c1-36-18-14-12-10-8-6-4-5-7-9-11-13-15-19-43(58)30-50-46(35-55)49(63)34-53(65,67-50)33-45(60)29-42(57)22-16-20-41(56)21-17-23-44(59)31-51(64)66-52(36)38(3)28-37(2)47(61)32-48(62)39-24-26-40(54)27-25-39/h4-15,18-19,24-27,35-38,42-43,45-47,49-50,52,57-58,60-61,63,65H,16-17,20-23,28-34,54H2,1-3H3/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

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