HMDB0286412 RDKit 3D PC(20:3(5Z,8Z,11Z)-O(14R,15S)/18:1(9Z)) 139139 0 0 0 0 0 0 0 0999 V2000 -3.2264 -0.8121 -8.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 -1.7021 -7.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 -1.0757 -6.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -1.9090 -4.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4163 -2.0321 -4.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5465 -2.9272 -3.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 -2.3979 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 -3.3477 -0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 -4.5924 -1.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 -5.0845 -0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -4.5472 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 -4.1237 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -3.6807 0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1692 -3.1431 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1871 -2.8417 1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4273 -2.2056 0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 -0.8031 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -0.0006 1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 -0.0301 1.8853 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.7689 2.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 1.5412 3.1902 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0792 2.9367 3.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 3.9232 2.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0998 4.3272 2.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 3.6459 3.8097 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 5.3377 2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 5.2764 1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 4.1466 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2469 2.8441 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 2.0923 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 2.4402 -1.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 1.4257 -1.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 1.5850 -1.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6637 2.7846 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.4997 -2.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 3.3229 -3.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 2.2456 -4.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1069 2.9738 -5.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 3.9149 -5.4694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 2.9803 -6.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 2.1814 -6.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 2.1001 -5.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 1.3181 -5.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 1.1682 -4.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6406 0.4157 -5.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 0.8766 4.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 -0.3539 4.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5424 -1.1215 5.9351 P 0 0 0 0 0 5 0 0 0 0 0 0 7.0271 -0.9440 5.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -2.7559 5.8740 O 0 0 0 0 0 1 0 0 0 0 0 0 4.9234 -0.4917 7.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -0.2043 7.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 0.3596 8.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 0.6991 8.4467 N 0 0 0 0 0 4 0 0 0 0 0 0 1.3566 1.9888 9.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 -0.2887 9.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 0.8518 7.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 0.0063 -8.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 -0.3444 -8.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -1.4067 -9.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 -1.7155 -7.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -2.7100 -7.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 -1.1080 -6.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 -0.0765 -6.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -1.3343 -4.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -2.8781 -5.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7991 -1.0323 -4.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0147 -2.4576 -5.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6549 -3.0387 -3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 -3.9504 -3.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 -1.4374 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 -2.2258 -2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -2.8767 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0038 -3.5577 -0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6566 -5.1381 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7455 -6.0066 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 -3.6835 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 -5.3875 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 -3.2400 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4495 -4.9180 -0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 -4.6202 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -2.9889 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9712 -2.2801 -0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -3.9441 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 -3.8369 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7926 -2.2998 2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2719 -2.1421 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7161 -2.8118 -0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0471 -0.3451 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3232 -0.7930 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 1.5357 3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1311 2.9298 2.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 3.3190 4.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 6.2864 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 5.6870 3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 5.3945 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 6.2369 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2237 4.3663 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 4.0352 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 2.5166 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 1.1596 -0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 2.3749 -2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 3.4756 -1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2905 0.4217 -2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 0.6617 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 3.5193 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 2.5483 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0345 4.4153 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7227 4.0633 -4.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 1.7136 -4.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3561 1.5878 -4.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0097 3.5651 -6.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 3.6646 -7.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0523 2.5749 -7.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 1.1216 -7.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.4814 -4.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 3.1146 -5.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 0.3151 -6.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8936 1.9034 -6.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 0.6174 -3.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 2.1520 -4.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5907 0.4058 -6.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7191 -0.6043 -4.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5639 0.9649 -4.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4295 0.8132 4.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 1.5329 5.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 -1.1786 7.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3961 0.4255 6.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6478 1.2124 8.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1436 -0.4217 9.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 2.3855 8.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1091 2.6961 8.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3638 1.9446 10.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 0.0593 10.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 -0.3761 8.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -1.3060 9.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 1.1474 6.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 1.6791 6.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4235 -0.0600 6.4576 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 1 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 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 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 40 38 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 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 21 91 1 1 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 50 -1 54 1 M END