HMDB0029796 RDKit 3D (Z)-13-Oxo-9-octadecenoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 7.6831 2.0673 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9149 0.7073 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5656 0.1151 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8895 0.9925 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 0.4247 0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 0.3550 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8997 0.8323 -1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 -0.2924 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 -0.8674 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 -1.5120 1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 -1.5931 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 -2.2771 0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -1.2370 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 -1.7269 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -0.6073 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8402 -0.0718 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8198 1.0289 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2284 0.5914 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1096 1.7680 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6261 2.8723 -1.6008 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4687 1.6069 -1.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 2.9008 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6677 2.1399 -1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 2.2275 -2.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5187 0.7630 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 0.0519 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7378 -0.8896 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 0.0083 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 2.0176 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 1.1300 1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7037 -0.6298 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 1.0301 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5305 0.5143 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -1.0293 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 0.0173 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -1.4928 1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -1.9533 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 -1.1558 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6074 -3.0523 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 -2.7541 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3956 -0.8672 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 -0.3929 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1438 -2.0695 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1851 -2.6086 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9619 -0.9146 0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7165 0.2643 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 0.3039 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 -0.8835 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6254 1.4756 -2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6449 1.8823 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3889 0.2033 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4649 -0.2333 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9221 0.8199 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END