HMDB0289628 RDKit 3D PC(20:3(6,8,11)-OH(5)/P-18:0) 142141 0 0 0 0 0 0 0 0999 V2000 -0.9550 2.0565 -3.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 2.3088 -2.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 1.9490 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9852 2.1744 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3663 3.6308 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 3.8386 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8737 3.4455 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9619 4.2383 1.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1563 3.7246 3.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 3.2224 3.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 2.6811 5.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 1.2412 5.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 0.6376 4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -0.7882 4.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6877 -1.3420 3.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 -2.7405 2.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 -3.5347 2.9096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 -3.1647 4.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 -2.2362 3.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 -2.4920 5.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 -1.4751 4.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8619 -1.4248 5.7325 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9021 -0.5646 3.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8981 0.4095 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6687 1.2738 2.4932 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6666 2.4216 2.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3934 3.2870 1.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4411 4.5867 1.3407 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.7399 4.1856 0.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7771 5.1173 2.9132 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.7854 5.8861 0.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9798 5.4807 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4269 6.6744 -1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 6.3203 -2.3920 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.3352 5.7134 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 5.3671 -3.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2291 7.4835 -3.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7175 0.5297 1.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8547 -0.5117 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8429 -0.4135 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8817 -1.5319 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 -1.8720 -1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9555 -3.0212 -1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -3.2095 -3.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -4.2136 -4.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4027 -5.6376 -3.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 -6.1756 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 -5.8885 -2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 -6.4984 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 -5.9967 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 -6.6529 1.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -6.4337 1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -7.0249 3.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 -8.4956 3.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 -9.0633 4.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6085 -8.4138 5.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 2.8096 -3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 1.0561 -3.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 2.0647 -2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 3.3892 -2.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 1.7592 -3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 0.9019 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 2.5896 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 1.9055 0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 1.5011 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6219 4.2765 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 3.8654 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 4.8914 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4567 3.1902 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 2.3477 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9251 3.6961 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 5.2993 2.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9123 4.2538 1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 3.7563 3.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 3.1923 3.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 3.2153 6.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 2.7917 5.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 0.6792 6.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 1.2113 3.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0062 -1.3385 5.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 -0.6950 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -2.9053 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -2.9718 2.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -4.2097 3.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0999 -3.0344 5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 -1.1796 4.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 -2.3561 3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -3.5077 4.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 -2.4637 6.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8489 1.0583 4.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9078 -0.0503 3.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 1.7113 2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6229 2.9065 3.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 1.9978 2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6087 4.8807 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 4.9054 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 7.3600 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 7.2371 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 4.6375 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 6.2644 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 5.8267 -2.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8358 5.5304 -4.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 4.3125 -2.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3221 5.4165 -3.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 7.1296 -4.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0231 8.2416 -3.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2702 7.8916 -2.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 -1.4398 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 0.5208 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 -2.4147 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 -1.2802 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -2.2317 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 -0.9953 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 -3.9124 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.7097 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -2.1734 -3.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2506 -3.2943 -3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 -3.8117 -4.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6239 -4.1278 -5.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 -5.9511 -3.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 -6.2778 -4.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6484 -6.0313 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 -7.3264 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 -6.2920 -2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 -4.8041 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -6.3345 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 -7.6118 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 -6.0591 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -4.8880 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 -6.2799 2.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -7.7543 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 -6.9466 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1887 -5.3691 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 -6.5451 4.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2991 -6.7638 3.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 -9.0642 2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -8.7424 3.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -10.1407 4.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 -8.9176 4.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -7.9836 5.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -9.1833 6.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -7.6320 6.3291 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 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 40 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 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 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 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 1 26 93 1 0 26 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 35 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 37107 1 0 39108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M CHG 2 30 -1 34 1 M END