HMDB0062218 RDKit 3D (E)-13-Octadecenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 6.6473 -1.6205 -1.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -0.7537 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 0.6608 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5371 1.7142 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 1.7947 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 1.0766 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 1.1064 -0.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 1.9680 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.4753 1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 0.1153 1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 -0.3264 1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -0.2964 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -0.8548 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2441 -0.7877 -1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6574 -1.3137 -1.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5992 -0.5230 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0092 -1.1112 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9209 -0.3324 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4861 0.6313 1.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2575 -0.6648 0.4967 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 -1.0577 -2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0462 -2.5188 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 -1.9479 -2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 -1.0963 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5061 -0.8962 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8670 0.8171 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2837 0.7921 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9512 1.7350 0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 2.7125 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 2.5731 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 0.3798 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 1.2978 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 0.0382 -0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5467 3.0382 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0378 2.1759 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2834 1.5479 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 2.2249 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -0.6633 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1091 -0.1631 2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 0.1571 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 -1.4314 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 -0.9843 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 0.6481 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 -1.8522 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 -0.1710 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 0.2599 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -1.4035 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -2.3919 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0332 -1.3021 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3015 -0.5145 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5895 0.5158 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 -2.1752 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3131 -1.0535 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6674 -1.2486 1.2178 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 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 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M END