HMDB0285815 RDKit 3D PC(20:4(5Z,7E,11Z,14Z)-OH(9)/15:0) 132131 0 0 0 0 0 0 0 0999 V2000 0.9582 -0.1303 6.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 0.1889 6.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2264 0.7784 5.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 -0.0983 4.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -1.3993 4.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -1.1494 5.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -1.6290 4.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 -2.5171 3.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9673 -3.8010 4.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -4.3667 3.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 -3.8399 2.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5126 -4.9550 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -6.0740 1.8041 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1958 -4.6699 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6153 -4.0016 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -3.5250 -0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6057 -2.8482 -1.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2216 -2.3515 -1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2429 -2.9238 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9085 -2.2492 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1944 -2.6758 -3.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 -3.5052 -4.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -2.1651 -2.9795 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -2.4966 -3.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 -1.7953 -3.2970 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0222 -2.1452 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0658 -1.3281 -3.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4923 -1.4718 -4.6532 P 0 0 0 0 0 5 0 0 0 0 0 0 8.2659 -2.6898 -4.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3645 -1.5554 -6.3193 O 0 0 0 0 0 1 0 0 0 0 0 0 8.4916 -0.1023 -4.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0778 -0.4490 -3.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9489 0.6133 -2.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2324 1.8427 -2.2221 N 0 0 0 0 0 4 0 0 0 0 0 0 8.7055 2.3273 -3.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2111 1.6574 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1495 2.8458 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -2.0080 -1.9807 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 -1.0078 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 0.1976 -1.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 -1.3783 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -1.8359 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -1.0850 1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 -0.5905 1.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 0.3714 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4684 0.9223 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 1.6217 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6013 2.1370 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 2.8315 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 3.3655 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5965 4.0432 1.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2888 3.3477 2.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 2.6121 3.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5287 2.0983 4.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 0.7280 5.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5763 -0.4048 7.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -1.0470 5.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 1.0268 7.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 -0.6365 7.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 1.7343 5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2361 1.0782 6.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2368 -0.3737 4.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 0.4127 3.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -1.7232 5.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8215 -2.1889 4.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.4978 6.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 -1.3854 5.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 -2.7502 3.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9211 -1.9972 2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4954 -4.2583 4.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3116 -5.3253 3.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1674 -2.9825 1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7617 -3.6685 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4561 -5.2300 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0891 -5.8190 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2327 -5.0298 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1927 -3.8329 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7032 -3.6898 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 -2.6673 -2.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -2.5178 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -1.2577 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 -4.0254 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 -2.6453 -3.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1382 -1.1484 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 -2.3302 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 -2.1226 -4.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -3.6026 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6922 -3.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7003 -2.0352 -5.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 -3.1970 -4.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3564 -0.8957 -2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7797 -1.3078 -3.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3530 0.2066 -1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7830 0.8344 -3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3668 2.1047 -4.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 3.4486 -3.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 1.9465 -3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4008 2.4013 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 0.6634 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6277 1.8695 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5908 3.4886 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0519 2.3752 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4618 3.5061 -2.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -0.4819 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 -2.1164 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7053 -2.2029 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 -2.9168 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -0.1649 2.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 -1.6616 2.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -1.5253 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 -0.2280 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 -0.2883 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 1.1378 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 1.6873 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.1099 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 0.8670 1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 2.4372 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 2.9467 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 1.3015 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 3.6390 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 2.1520 2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 4.0673 -0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3017 2.5353 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 4.8883 2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3822 4.6044 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9258 4.1149 3.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0812 2.6111 2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1302 1.6278 3.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 3.1808 4.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8268 2.9779 5.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4244 1.7161 4.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9907 1.3403 5.4441 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 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 1 26 89 1 0 26 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 35 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 37103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 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 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M CHG 2 30 -1 34 1 M END