HMDB0286918 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/18:3(10,12,15)-OH(9)) 129128 0 0 0 0 0 0 0 0999 V2000 8.1120 4.1825 -1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1121 5.3151 -1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 5.0638 -2.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4339 4.8551 -3.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 4.8591 -2.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2669 5.8608 -2.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 5.4990 -2.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 4.0930 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 3.7292 -4.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 3.2961 -4.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 3.1194 -3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4096 3.8798 -3.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 3.2349 -3.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 1.7726 -3.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4963 1.3112 -2.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9368 1.6960 -2.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6698 1.2568 -1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5128 -0.1954 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4724 -0.9692 -1.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3262 -0.7500 -0.6265 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0437 -2.1038 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5574 -2.1677 -0.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0024 -3.5213 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 -3.3483 0.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7941 -4.7815 0.5334 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2507 -5.8107 -0.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 -5.3977 2.0745 O 0 0 0 0 0 1 0 0 0 0 0 0 0.8650 -4.5270 0.2354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -4.5020 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 -4.2414 -1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -5.1838 -0.9742 N 0 0 0 0 0 4 0 0 0 0 0 0 2.9165 -6.4159 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1956 -4.5614 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5031 -5.4853 -1.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 -1.3310 1.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5731 -0.1876 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1722 0.0373 -0.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 0.7707 1.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 1.7143 2.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2334 2.7576 3.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 3.7757 3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7844 3.7323 3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 3.3771 4.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 2.0807 5.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 1.0020 4.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 0.6232 3.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5392 -0.1890 5.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -1.4299 5.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2956 -2.5619 6.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -3.7895 5.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0548 -4.9335 6.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 -5.7168 6.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -7.0129 5.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3511 -7.8103 5.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 -7.0282 5.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1162 4.5140 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 3.9442 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7793 3.2501 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 6.2734 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 5.2493 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4331 5.0339 -3.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 4.6815 -4.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 3.8497 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 5.2434 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 6.9251 -2.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 6.3106 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 3.4111 -2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 3.8469 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7499 3.8458 -5.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 3.0600 -5.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 3.5962 -2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2681 2.0753 -3.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 4.9788 -3.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4822 3.8029 -3.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 1.1921 -3.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2729 1.4444 -4.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4636 0.1860 -2.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0655 1.6501 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 1.1539 -3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0901 2.7864 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3955 1.8765 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 1.4710 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 -2.6953 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6487 -2.4271 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 -1.7735 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3839 -3.9976 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 -4.1403 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 -5.4751 -1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 -3.7158 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8202 -3.2060 -1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 -4.2316 -2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 -7.1108 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -6.2921 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 -6.9355 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1804 -5.0451 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4196 -3.4977 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -4.5857 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0956 -4.5480 -2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0096 -5.7586 -2.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -6.2536 -1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0746 0.1919 2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 1.2338 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3314 1.1645 2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 2.2507 1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 3.2982 3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 2.2676 4.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 4.7185 3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3563 4.2746 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 3.1257 2.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 4.7773 3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9565 3.6614 4.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 4.1879 5.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 1.5873 5.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 2.2153 6.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 1.3407 4.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 0.6083 2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -0.0205 6.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 -1.5750 4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 -2.4158 7.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -3.9652 4.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 -5.5971 6.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 -4.5583 7.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -5.2463 6.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1644 -7.4797 5.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4596 -8.6560 6.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2933 -8.3220 4.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7578 -6.6700 6.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -7.7174 5.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 -6.1897 5.0056 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 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 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 32 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 34100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 M CHG 2 27 -1 31 1 M END