REGNO:119415 METABOLOMICS WORKBENCH STRUCTURE 37 36 0 0 0 999 V2000 1.2873 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4312 0.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 1.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1736 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0217 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7568 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6243 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4919 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3594 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2268 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0944 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9620 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8295 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6970 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9044 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7699 -1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6159 -1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4847 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3476 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2165 -1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0794 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9483 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8113 -0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9541 -2.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 4 7 1 0 0 0 5 2 1 0 0 0 3 8 1 0 0 0 8 9 1 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 1 23 1 0 0 0 23 24 1 0 0 0 9 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 24 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 M END > LMFA07090082 > FAHFA 15:0/12O(FA 18:0) > 12-pentadecanoyloxy-octadecanoic acid > C33H64O4 > 524.48 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acid estolides [FA0709] > - > 12-PDAHSA;12-Pentadecanoyloxystearic acid > > > - > - > - > - > - > - > - > 101527456 > - > - > Active (generated by computational methods) > - $$$$