HMDB0008646 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 150149 0 0 0 0 0 0 0 0999 V2000 -1.5604 6.7475 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 5.9880 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 4.5048 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 3.8804 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5194 4.0884 -1.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 3.4919 -2.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 2.5757 -3.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2862 1.9366 -4.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 2.0829 -5.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7895 2.5869 -6.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1113 3.1971 -6.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 3.3502 -5.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9102 2.7507 -4.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 1.8307 -5.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5354 1.4219 -6.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2384 0.2043 -7.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 -0.9702 -6.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0553 -2.0688 -6.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9589 -3.2540 -5.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 -3.6998 -5.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 -4.8995 -4.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7756 -5.0763 -5.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 -5.8765 -5.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 -4.2316 -4.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 -4.1604 -4.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -3.0288 -3.0479 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9973 -2.7498 -2.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 -1.6673 -1.9608 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.3335 -1.7384 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2382 -0.4654 -2.8946 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5965 -2.7800 -1.6442 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9530 -0.4557 -0.2799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 0.8726 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 1.7303 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 1.3626 1.4772 N 0 0 0 0 0 4 0 0 0 0 0 0 5.0225 2.5865 2.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 0.5751 2.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 0.6555 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -3.3661 -1.8512 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -2.6367 -1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -1.6588 -2.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 -3.0389 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -2.0730 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9577 -0.6996 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 0.3227 1.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 0.4372 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 1.4738 3.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 1.2299 4.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1482 -0.1256 4.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 -0.3283 5.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.5829 7.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5873 -0.7117 7.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 -2.1154 7.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -3.0605 6.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -2.9190 5.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4154 -3.2255 5.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -4.2176 4.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -5.1202 4.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -5.0195 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -5.9540 1.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -5.9106 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 -6.8311 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 6.7867 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 6.2410 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 7.8123 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 6.1578 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 6.3829 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 4.0140 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 4.3146 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 2.7950 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 4.3837 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4104 3.6617 -2.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 5.1784 -2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 3.8673 -2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 2.1952 -3.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 2.1117 -3.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.8129 -3.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 1.6725 -5.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 2.5552 -7.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8924 4.3072 -6.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7063 2.8582 -7.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 4.0847 -4.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2593 3.0246 -3.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8663 0.8925 -4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8801 2.2082 -5.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6657 2.1651 -7.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0846 0.0495 -8.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 -1.3906 -6.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -0.8131 -5.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -2.4215 -7.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0709 -1.6742 -6.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3391 -2.9629 -4.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5805 -4.0757 -6.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1373 -3.9447 -6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9422 -2.8705 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7847 -5.7648 -5.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6288 -4.7824 -3.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2851 -5.1066 -3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 -3.9189 -5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 -2.1050 -3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 -3.6510 -2.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -2.4706 -3.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 1.2800 -1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 0.9948 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 2.7989 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4016 1.6859 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 2.3348 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2421 3.3471 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 2.9789 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 -0.4798 2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 0.7628 3.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 1.0342 2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -0.3089 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 1.3159 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2687 0.3966 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8931 -3.1131 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 -4.0403 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3983 -2.1291 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 -2.4717 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 -0.7886 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 -0.3122 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 0.0687 2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 1.2950 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 0.8178 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8065 -0.5430 2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 2.5134 2.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 2.1018 4.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 -0.1186 4.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -0.9384 3.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 -0.2563 5.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 -0.7095 7.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 -0.0270 7.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 -0.3962 6.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 -2.3628 8.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 -4.0562 7.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -1.8349 5.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 -3.5355 4.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 -2.5975 6.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 -4.3565 5.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4104 -6.1772 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0675 -4.9883 4.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -5.3203 2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.9690 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 -6.9746 2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 -5.6945 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3196 -6.2499 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2346 -4.8944 -0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 -7.6031 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8852 -6.2688 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 -7.3480 0.1293 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 6 27101 1 0 27102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 36107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 38115 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 46124 1 0 46125 1 0 47126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 57139 1 0 58140 1 0 58141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 31 -1 35 1 M END