HMDB0114442 RDKit 3D PE-NMe2(22:1(13Z)/18:0) 149148 0 0 0 0 0 0 0 0999 V2000 6.5691 -1.4957 1.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4675 -2.0534 1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 -3.1798 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -3.6869 0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 -4.7968 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 -6.0122 1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -7.1144 2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 -7.8431 1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -8.6417 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -8.6250 -0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -7.8613 -1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 -7.1870 -2.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -6.1119 -2.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -4.7941 -2.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -4.1741 -3.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 -2.8571 -2.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 -2.9162 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 -1.5260 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 -1.7358 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -0.4998 1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 0.1971 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 1.4060 1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7381 2.0509 1.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 1.8035 2.4238 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 2.9130 3.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 3.0877 4.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 1.8959 5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.9794 6.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 0.6101 7.1038 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0417 1.0188 8.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2275 -0.3554 6.6629 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5115 -0.2802 6.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 -1.2959 7.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -2.0847 7.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0921 -1.2623 7.5378 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 -0.3367 6.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2696 -2.0718 7.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 3.3138 3.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 4.4492 3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 5.3422 4.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 4.6540 2.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 3.7470 1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9674 4.0599 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 3.1313 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 3.3807 -1.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 2.4331 -2.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 2.6321 -3.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6943 4.0560 -3.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 4.4461 -4.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8224 5.8863 -5.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 6.8519 -4.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 8.2862 -4.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 8.8111 -4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8043 8.3433 -6.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9372 8.5019 -7.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7227 7.9697 -8.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0127 8.7845 -8.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 -0.4404 2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 -2.1356 2.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5544 -1.5511 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9299 -2.4376 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 -1.2154 0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -2.7924 2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 -3.9987 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1898 -4.0359 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 -2.8573 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 -5.0077 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 -4.4018 2.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5521 -5.7211 2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 -6.3596 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -6.6957 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 -7.8889 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 -8.4401 2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2777 -7.0640 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3253 -9.3677 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 -9.3724 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5857 -8.5995 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -7.1676 -1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3892 -8.0544 -3.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -6.9642 -3.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -5.9806 -3.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7101 -6.4313 -2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2824 -4.1168 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 -4.8885 -1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4916 -4.8673 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -3.9253 -4.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6805 -2.1021 -2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.4666 -3.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8807 -3.3411 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 -3.5339 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -0.9269 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -1.0559 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 -2.1752 1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 -2.4760 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 0.2391 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5767 -0.6940 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 0.5337 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 -0.4338 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 2.8137 3.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 3.8030 2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 3.9721 4.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 0.9951 4.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 1.7005 5.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0015 -0.8295 5.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 -0.7730 8.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 -1.9082 7.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 -2.5531 6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 -2.8957 8.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -0.7643 5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1262 -0.2048 6.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.6333 6.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 -2.9565 6.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1443 -1.4910 7.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5766 -2.3591 8.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 5.7079 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1019 4.2913 3.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 3.9002 1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 2.6983 1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 3.9749 1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 5.1289 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 2.0970 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 3.3075 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2045 3.2845 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 4.4350 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 2.5951 -3.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 1.3945 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 2.4535 -2.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5661 1.9162 -4.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 4.6976 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 4.0745 -4.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 4.3254 -4.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 3.8173 -5.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 5.9392 -5.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 6.1318 -5.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 6.5191 -3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 6.7074 -3.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 8.8563 -3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 8.5984 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 9.9616 -4.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 8.6576 -4.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6553 9.1095 -6.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3416 7.4040 -6.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 7.9614 -7.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 9.5689 -7.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 8.1509 -9.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9614 6.9099 -8.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4643 8.6694 -9.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 8.4082 -7.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7853 9.8683 -8.5330 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 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 26 38 1 0 38 39 1 0 39 40 2 0 39 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 56 57 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 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 0 27102 1 0 27103 1 0 31104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 36109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 37114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 57149 1 0 M END