HMDB0261142 RDKit 3D PE(18:0/18:2(9Z,11E)+=O(13)) 128127 0 0 0 0 0 0 0 0999 V2000 -13.0046 0.7854 2.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4535 1.9946 2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7636 2.4112 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8325 1.4799 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1636 0.1616 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6427 0.3897 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9987 -0.9525 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0359 -1.8629 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2467 -1.8342 -2.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0743 -0.6613 -2.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 0.3963 -2.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 0.2129 -2.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0758 -0.8847 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5683 -0.6310 -1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7232 -1.6060 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 -1.8228 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8735 -0.6317 1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 0.1170 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 1.0517 0.3639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5653 -0.1619 2.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 0.5832 1.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 0.4141 0.6629 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8725 -0.9870 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 -1.9472 0.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -3.4683 0.6161 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2976 -4.5146 1.2903 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0547 -3.3450 1.4299 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -3.8800 -0.9963 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5073 -5.1256 -1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7297 -5.4472 -2.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -6.6994 -2.7057 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 1.2845 0.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 2.2911 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 2.3900 -1.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 3.2698 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 2.9840 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 2.8610 1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1311 2.6359 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 1.4197 1.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 1.1860 2.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0868 2.3941 2.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 2.6534 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3474 2.6426 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5947 2.3637 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7045 2.3889 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0113 2.1202 0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1234 1.8565 1.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2015 2.1522 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9226 1.3357 -1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5847 -0.0785 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7343 -0.7022 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3187 -2.1384 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7109 -0.0638 2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9559 0.4923 2.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1351 0.9914 3.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3755 2.8722 2.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5521 1.8553 1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1562 3.4505 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6804 2.6292 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9217 1.2822 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4162 2.0081 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5133 -0.4678 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2769 -0.4502 -1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3360 0.8772 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5298 1.0337 0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9644 -0.8291 0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5633 -1.3962 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8466 -2.9294 -0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1397 -2.0386 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6696 -2.7168 -2.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2409 -2.3433 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8872 -0.9568 -4.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1311 -0.1946 -3.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3891 0.8693 -1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3510 1.2922 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 1.1821 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2825 0.1590 -3.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2236 -1.8819 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -0.9639 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3194 0.4241 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 -0.7512 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6554 -1.2613 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 -2.6118 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8713 -2.4263 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 -2.5191 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0397 -0.9562 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7428 0.0782 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 0.3164 2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 1.6401 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 0.6784 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -1.1197 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 -1.0983 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 -3.2591 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4868 -5.0943 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 -5.8660 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3666 -4.6275 -2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 -5.4289 -2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 -7.4845 -2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 -6.8803 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 4.2669 -0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 3.3509 -1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 1.9839 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 3.7348 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 2.0473 2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 3.8114 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 3.5840 2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 2.5451 3.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2113 0.5305 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9184 1.3823 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6517 0.3434 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 0.9281 3.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6397 3.3142 2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 2.2226 2.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2992 2.8714 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3261 2.8535 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7398 2.1357 1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6095 2.6172 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3172 3.2527 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0776 1.8077 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7905 1.3590 -2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0518 1.7377 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7174 0.0039 -0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2267 -0.6974 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0194 -0.1645 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6425 -0.8027 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1821 -2.6672 0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0462 -2.6442 -1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4457 -2.0676 0.6351 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 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 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 6 23 91 1 0 23 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 43115 1 0 44116 1 0 45117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END