a dimycocerosyl phthiodiolone

Properties Image MNX_ID MNXM166782 reference metacycM:CPD-18651 formula C76H144O5*4 global charge 0 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCCCC[C@H](C[C@@H](CCCC[C@H](C)C(=O)C[*])OC(=O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCCCCCCCCCCCC[*])OC(=O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCCCCCCCCCCCC[*] MNX internals InChI (mnx) InChI=1/C80H156O5/c1-14-18-21-24-27-30-33-36-37-40-43-46-49-52-58-76(84-79(82)74(12)64-71(9)62-69(7)60-67(5)55-50-47-44-41-38-34-31-28-25-22-19-15-2)66-77(59-54-53-57-73(11)78(81)17-4)85-80(83)75(13)65-72(10)63-70(8)61-68(6)56-51-48-45-42-39-35-32-29-26-23-20-16-3/h67-77H,14-66H2,1-13H3/t67-,68-,69-,70-,71-,72-,73+,74-,75-,76-,77-/m1/s1/i1+1,2+1,3+1,4+1 SMILES (mnx) [13CH3:1][CH2:14][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:58][C@H:76]([CH2:66][C@@H:77]([CH2:59][CH2:54][CH2:53][CH2:57][C@H:73]([CH3:11])[C:78]([CH2:17][13CH3:4])=[O:81])[O:85][C:80]([C@H:75]([CH3:13])[CH2:65][C@H:72]([CH3:10])[CH2:63][C@H:70]([CH3:8])[CH2:61][C@H:68]([CH3:6])[CH2:56][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:16][13CH3:3])=[O:83])[O:84][C:79]([C@H:74]([CH3:12])[CH2:64][C@H:71]([CH3:9])[CH2:62][C@H:69]([CH3:7])[CH2:60][C@H:67]([CH3:5])[CH2:55][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:15][13CH3:2])=[O:82]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0