HMDB0285596 RDKit 3D PC(14:0/20:4(5Z,8Z,11Z,14Z)-OH(17)) 129128 0 0 0 0 0 0 0 0999 V2000 5.4614 -9.7705 3.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -9.2761 2.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6347 -10.0327 1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 -9.6155 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7725 -8.1496 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -7.7920 -1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9464 -6.3082 -1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -5.8261 -2.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 -4.3691 -2.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 -4.1140 -3.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.6474 -3.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 -1.7681 -2.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7253 -2.1143 -1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 -1.3016 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8285 -1.2359 0.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 -0.6151 0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 0.1035 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6559 0.7799 2.0001 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5728 -0.2204 2.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 0.5892 3.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 -0.3887 3.7554 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2646 -1.8493 3.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 -0.0229 5.4077 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9965 -0.0286 2.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 -1.0359 3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 -0.7523 2.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8621 0.4498 2.9325 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4950 1.5934 2.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3022 0.2854 2.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5605 0.6899 4.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 1.7404 1.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 3.0144 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1785 3.2420 2.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 4.1235 0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5081 4.2720 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 4.0505 -1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 2.8889 -2.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 1.6422 -2.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4486 0.9879 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 0.1757 -2.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7747 0.1638 -2.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 1.0014 -1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 1.7417 -2.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 3.0180 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2044 3.9458 -1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 4.6835 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4111 5.9676 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5202 6.8882 -1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8172 7.8495 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 8.6517 -1.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 8.8190 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4198 9.8427 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5028 9.3403 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 -10.7006 4.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -9.0029 4.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -9.9646 3.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 -9.5200 2.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5599 -8.2112 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6631 -9.7724 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 -11.1171 1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 -9.7823 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8102 -10.2285 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 -8.0078 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -7.4969 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -8.0075 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 -8.3572 -2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 -6.1214 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7592 -5.7014 -0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 -5.9745 -2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -6.4278 -3.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -3.7772 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -4.0126 -3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 -4.4587 -2.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 -4.6317 -4.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 -2.5731 -4.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -2.2484 -4.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 -1.8254 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 -0.7343 -2.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 -2.0441 -1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6265 -3.2100 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 0.8961 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3141 -0.4997 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 1.2184 2.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 -0.5873 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 -0.9843 3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -1.9670 2.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1304 -1.2371 4.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 -1.5947 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -0.6482 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0266 2.3961 2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3423 2.0030 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 1.2651 1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6756 0.4160 1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6266 -0.7386 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8576 0.9944 3.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 1.5968 4.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4956 0.8825 4.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 -0.1775 4.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8657 5.0192 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 4.5642 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 3.8130 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 5.4060 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 4.7091 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 4.8085 -2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 3.0942 -3.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 0.9126 -2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 1.6064 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0134 0.1589 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.5643 -2.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2686 -0.5675 -2.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2779 1.5142 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4445 0.2203 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1133 1.1060 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 3.5143 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3977 4.5477 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7155 3.2952 -0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9524 4.0559 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 6.3677 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1569 7.3783 -2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7613 6.3203 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 7.3100 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 9.4004 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2582 8.2251 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 9.3411 1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9323 10.4622 0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 10.6323 -0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2553 9.3979 -2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9317 8.3704 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4172 10.0454 -1.0792 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 2 0 14 16 1 0 16 17 1 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 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 17 81 1 0 17 82 1 0 18 83 1 1 19 84 1 0 19 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 28 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M CHG 2 23 -1 27 1 M END