HMDB0008418 RDKit 3D PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -7.2616 -6.6564 6.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4547 -7.6728 7.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 -8.9211 6.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -9.5086 6.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0119 -9.0080 6.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4498 -8.7491 5.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0084 -7.5862 5.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 -6.4126 5.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -5.3034 5.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 -4.1267 5.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 -3.7298 5.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -2.5954 6.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 -1.4368 6.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -1.1557 4.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 -0.7889 4.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 0.3483 4.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 1.4136 3.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 1.6145 2.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 0.3537 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 0.0187 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2271 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4808 -1.3006 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 -0.4507 -1.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -2.3382 -1.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 -2.5010 -3.1116 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4053 -2.1006 -4.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 -0.7313 -3.9439 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6337 -0.0683 -4.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -0.6061 -5.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8062 1.4393 -4.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 1.9032 -3.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4715 3.3116 -3.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4216 4.0858 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 3.6643 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5308 4.6038 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1728 5.9137 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0382 6.5213 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 6.0017 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 6.0355 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 6.6731 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 7.3872 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 6.7558 -1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 7.3442 -2.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 8.7586 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 8.9184 -1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 8.2486 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6953 8.4637 0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 9.9576 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 -3.8387 -3.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -3.8814 -4.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -5.3989 -5.1022 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8774 -5.8597 -6.4383 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -6.5464 -3.9551 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1047 -5.2456 -5.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -4.7690 -4.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0892 -4.5768 -4.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 -3.6494 -5.0225 N 0 0 0 0 0 4 0 0 0 0 0 0 4.9520 -2.3352 -4.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0099 -3.4104 -4.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 -4.1296 -6.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8893 -6.6479 5.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3236 -6.9695 6.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1403 -5.6693 7.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 -7.2714 8.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0444 -7.8376 8.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4284 -9.4000 6.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4516 -10.4581 5.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4806 -9.9498 7.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 -8.2893 7.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 -9.5933 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -7.3922 4.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -6.6290 6.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 -6.1327 6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8977 -5.4939 5.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -3.3087 4.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 -4.5329 5.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4133 -3.5731 4.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -2.7066 7.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 -0.6187 6.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -0.2631 4.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 -1.9609 3.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 -1.5087 5.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 0.5443 4.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9323 1.2739 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 2.3664 4.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 2.4124 1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 1.9650 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1914 0.5336 0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1419 -0.4686 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 0.9155 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -0.0577 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -1.3253 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 -2.0893 0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 -1.6756 -3.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2893 -2.7296 -3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 -2.2566 -5.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 1.8670 -5.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 1.6329 -3.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4494 1.2154 -2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 1.6072 -4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 3.4363 -2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 3.8477 -4.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 4.0269 -3.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 5.1628 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 2.7294 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 3.1915 -0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 4.7898 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1234 4.0369 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 6.5370 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 7.5771 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7472 4.9360 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 6.5342 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2133 5.5395 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 6.7231 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 8.4139 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 7.6963 -1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 5.6784 -2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5386 6.7706 -2.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 9.1769 -2.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 9.4145 -1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2385 8.5266 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5489 10.0083 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 8.7573 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 7.1741 0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 8.0719 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 8.0304 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 10.4840 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2447 10.4021 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 10.0855 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -4.6100 -3.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 -4.1522 -2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -3.7907 -3.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -5.4748 -3.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 -4.2113 -3.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 -5.5604 -4.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 -2.4026 -5.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -1.9282 -3.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -1.6478 -5.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9818 -2.8353 -3.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 -4.3588 -4.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4523 -2.7681 -5.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 -3.7554 -6.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 -3.7548 -6.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 -5.2337 -6.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 53 -1 57 1 M END