HMDB0002080 RDKit 3D Petroselinic acid 54 53 0 0 0 0 0 0 0 0999 V2000 7.5895 0.0396 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -1.2311 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 -1.1870 -1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6025 -0.7524 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5662 0.6074 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 0.8630 0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 0.7633 -0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 1.0808 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 0.1251 1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9561 0.5049 1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 0.4346 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2976 0.8025 1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3108 -0.0212 1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -1.3728 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4172 -1.5538 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4211 -0.7696 -1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 0.7032 -1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7721 1.2061 -0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9095 2.4342 -0.5572 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7601 0.3353 -0.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2329 0.9665 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 0.0840 -0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4919 0.0356 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -1.9593 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9016 -1.6533 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 -0.6302 -2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6776 -2.2563 -1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2319 -1.5170 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 -0.7735 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 0.6690 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 1.4016 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 0.0623 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 1.8052 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 1.4880 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -0.2954 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 2.1103 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 1.0205 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 0.1390 2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.9243 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 1.5515 2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 -0.1882 2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8393 1.2401 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 -0.5019 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3861 1.8204 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 0.3739 1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6444 -2.0932 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 -1.7612 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3896 -1.3078 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4501 -2.6700 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4697 -1.0283 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -1.1602 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 1.2337 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 1.0985 -2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7168 0.6079 -0.1743 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 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 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 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