HMDB0000673 RDKit 3D Linoleic acid 52 51 0 0 0 0 0 0 0 0999 V2000 4.1205 -1.5407 3.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9996 -2.0535 1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 -0.9837 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4171 0.2154 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 1.2468 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 0.6289 -1.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 0.4534 -2.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3394 0.8808 -1.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 1.8815 -2.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 1.6798 -3.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 0.5117 -2.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 0.9909 -2.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 1.6561 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 0.8085 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 -0.4258 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2917 -0.0538 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -1.2387 1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6605 -2.0132 2.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2785 -3.0882 2.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 -1.6864 2.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -0.9082 3.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 -2.3811 3.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1094 -0.9946 3.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -2.8739 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9503 -2.4326 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4699 -0.6521 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -1.4259 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 0.6549 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3953 -0.1299 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 2.0565 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 1.6498 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7016 0.2943 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 -0.0249 -3.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -0.0651 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 1.2820 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 2.8388 -2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 2.5074 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6315 0.0627 -3.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 -0.2865 -2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0619 1.7294 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3432 0.1065 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 2.0313 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 2.5717 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 0.4964 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 1.4139 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3434 -1.0003 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 -1.0936 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 0.6580 1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7328 0.5118 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2155 -0.9204 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2651 -1.8444 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6681 -1.7016 3.9828 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 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 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 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 20 52 1 0 M END