HMDB0009491 RDKit 3D PE(22:0/18:3(9Z,12Z,15Z)) 139138 0 0 0 0 0 0 0 0999 V2000 17.2736 -1.6965 2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9218 -0.3099 1.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0809 -0.2925 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1295 -0.0983 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7252 0.1342 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1645 0.1361 0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5556 1.1437 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 2.4931 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8667 2.6973 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1731 2.8354 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6288 2.8260 -1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2398 1.7303 -2.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8224 1.3027 -2.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3658 0.5753 -1.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.1782 -1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6082 -0.6132 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1726 -1.0094 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 0.1418 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 1.3429 -0.1843 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 -0.1574 -0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 0.9467 0.0303 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9833 0.7623 1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1461 -0.3340 0.8836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 -0.7938 1.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 -0.2263 2.8223 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -1.9242 1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 -2.2394 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 -1.0529 2.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 -0.4609 0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8503 -1.2889 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1621 -1.8470 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 -0.6603 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3812 -1.1498 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2104 0.0140 1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4059 1.1018 0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9770 0.8600 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3168 0.2805 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5754 -1.1134 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0226 -1.5028 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0306 -0.6448 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8945 -0.8365 1.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7001 -0.0091 2.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1713 0.0196 2.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8443 0.5892 1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3720 0.5204 1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0607 1.0964 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 0.8218 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1556 1.8711 -1.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1159 1.5661 -2.5749 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9239 1.8095 -3.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 2.4365 -2.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -0.1402 -2.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4616 -0.6720 -3.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -2.1942 -3.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 -2.7959 -4.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3737 -1.7256 3.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5283 -2.4444 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2571 -2.0016 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8441 0.3170 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1082 0.1795 2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1427 -0.4579 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4793 -0.1293 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1518 -0.6971 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3457 1.0441 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2199 -0.8222 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1794 0.9794 2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7217 3.2204 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8718 2.6827 -0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3809 2.7276 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0853 3.0524 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7416 3.0068 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2093 3.7841 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6723 1.8984 -3.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8288 0.8147 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1190 2.1145 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7298 0.5635 -3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 -0.4377 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5663 1.0189 -0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -0.5232 -2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3159 1.0927 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 -0.0304 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2511 -1.5383 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9491 -1.7784 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9817 -1.5205 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 1.8709 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 1.6739 1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 0.5419 2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 -1.6677 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -2.8338 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 -3.0969 1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -2.5538 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 -0.2634 2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 -1.3904 2.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -0.0953 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 0.5028 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 -2.1118 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0847 -0.6168 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9727 -2.5302 1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6234 -2.4253 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0392 0.1220 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -0.2272 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2461 -1.7985 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8673 -1.7557 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1505 -0.2697 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6055 0.4835 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0720 1.8695 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4491 1.7041 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9466 1.8758 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2145 0.2872 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0488 0.9443 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6007 0.3857 -1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4036 -1.3523 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9768 -1.8461 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1973 -1.4196 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1581 -2.5427 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9609 0.4105 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0109 -1.1303 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8057 -0.7227 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1578 -1.9294 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3766 -0.1945 3.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3477 1.0754 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5175 0.6124 3.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5276 -1.0636 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6204 0.1109 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6018 1.6906 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5882 1.1606 2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6777 -0.4999 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6540 0.3242 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7535 1.8904 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2833 1.5533 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 0.9468 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 -0.1612 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 2.6332 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 -0.2698 -3.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 -0.3766 -4.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -2.3980 -2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 -2.5726 -3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 -3.0683 -5.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 -3.5541 -4.3965 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 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 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 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 45 46 1 0 21 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 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 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 1 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 51133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 M END