HMDB0287201 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:2(11Z,14Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -5.7606 -5.8768 2.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -5.2371 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8661 -4.4332 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8999 -5.3429 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0197 -4.6617 -1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7257 -3.9810 -2.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 -2.7031 -2.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 -1.7118 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -0.6360 -1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 -0.3503 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0808 -1.0290 1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1724 -0.0105 1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 1.1231 2.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0503 2.1461 2.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 1.5321 4.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4977 2.3534 4.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2993 2.9866 4.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 4.0846 3.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 4.6166 2.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 3.6072 1.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 2.4012 1.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 3.8619 0.8582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 2.8144 0.0376 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1413 2.9972 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 3.0139 0.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 3.8250 1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3255 4.7435 1.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2724 3.7707 2.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9056 3.3445 4.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 1.9071 4.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 1.6547 5.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 1.3174 6.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 1.1280 5.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 -0.2352 5.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 -1.0865 4.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5196 -0.8345 3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4366 -0.9332 2.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5009 -1.8460 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -2.8300 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -2.6656 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -3.6271 -1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 -4.9353 -0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 -5.8395 -1.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -7.2249 -1.7784 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2747 -8.1213 -1.6714 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -7.3753 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 -6.4377 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 3.0376 -1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4232 2.0406 -2.2057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 2.1680 -3.7269 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2672 2.7397 -3.5646 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5279 0.5913 -4.3513 O 0 0 0 0 0 1 0 0 0 0 0 0 2.5878 3.0754 -4.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 3.6167 -5.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 4.4286 -6.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 3.6670 -7.4277 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7044 3.3412 -6.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1692 2.4254 -7.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 4.4162 -8.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3232 -6.7637 2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0259 -5.1112 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3185 -6.1930 3.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3454 -4.5441 2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3205 -5.9766 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3163 -3.6400 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5599 -4.0066 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2269 -5.8514 0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4882 -6.1763 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2734 -4.0644 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4233 -5.4919 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3819 -4.6040 -2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2326 -2.3305 -3.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 -1.1793 -2.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1818 -2.2122 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2597 -0.0769 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4627 0.4713 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8176 -1.4163 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -1.8649 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 -0.5404 2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 0.4129 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 0.7883 3.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 1.6840 1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 3.0501 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 2.2954 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9261 0.5308 3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 1.1974 4.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 3.1733 5.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.7311 5.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 2.1902 4.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2925 3.3932 5.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 4.0874 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 5.0010 4.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3402 4.9960 3.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 5.5163 2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.8194 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 2.3368 -1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 4.0460 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6711 4.8402 2.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1739 3.2117 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 3.4678 4.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1199 4.0437 4.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 1.2594 4.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 1.8478 3.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 1.7751 6.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 1.1515 7.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.8137 5.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 1.4916 4.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -0.4913 6.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 -2.0730 4.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 -1.5890 2.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 0.1635 3.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -0.2827 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -1.9111 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 -3.8238 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 -2.8395 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 -1.6826 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 -3.3927 -2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 -5.2228 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 -5.5611 -2.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 -7.4756 -2.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 -8.4147 -2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -7.2638 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 -8.4226 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -5.8674 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 -5.7122 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -6.9799 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 4.0091 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 3.0522 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 2.8180 -6.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 4.3023 -5.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 4.7407 -7.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 5.3360 -6.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 3.1570 -7.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 2.3532 -5.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8058 4.1238 -5.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 1.9135 -8.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 1.7279 -7.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5061 2.5749 -8.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2797 3.9784 -8.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 4.3560 -9.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 5.4832 -8.1666 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 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 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 41117 1 0 42118 1 0 43119 1 0 44120 1 6 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END