HMDB0284913 RDKit 3D PE(18:1(12Z)-2OH(9,10)/DiMe(13,5)) 146146 0 0 0 0 0 0 0 0999 V2000 17.4145 -3.6878 -0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8351 -2.3338 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5002 -1.5636 -1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9338 -0.2049 -1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6186 -0.1738 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5877 -0.8976 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9000 -1.9176 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0177 -2.5169 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7595 -2.4823 1.1312 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3698 -1.1712 1.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6894 -3.3322 0.5256 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2758 -2.8365 -0.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5476 -3.6423 1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8131 -2.4534 1.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1947 -1.6172 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4937 -0.4654 1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8257 0.4917 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 1.5738 1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 1.1136 2.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9991 0.5361 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 0.5748 0.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9312 -0.0161 2.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 -0.5456 1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1101 0.5303 0.9165 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0117 1.7917 1.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 2.8130 0.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5465 4.3250 1.5723 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6420 4.4757 2.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9196 4.5457 2.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 5.5450 0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 6.3839 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 7.4625 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 6.8138 -1.5964 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 0.2163 0.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 0.3767 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 0.8293 -1.7579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5961 0.0338 -1.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0998 1.2892 -2.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 1.2298 -3.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 0.7877 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7269 1.6918 -1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8637 1.3953 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2257 1.6212 -0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8191 0.9588 -1.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8958 -0.5034 -1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5723 -1.2880 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0045 -1.0649 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4791 0.2018 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9917 0.0816 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7020 -0.1462 1.2359 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0079 -0.1811 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0819 -0.4161 1.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5404 -1.7677 2.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0267 -2.6427 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0348 -3.1474 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9915 -3.9348 0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1264 0.0481 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3808 0.1222 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8450 0.2117 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5073 0.4809 -2.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6249 -4.4546 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1285 -4.0376 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9760 -3.6542 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6264 -1.7853 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0063 -2.4789 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7080 -2.1606 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3834 -1.4869 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8013 0.2620 -2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6733 0.4437 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2640 0.9095 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7016 -0.4625 0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3937 -0.5469 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1770 -2.3505 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3376 -3.5972 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8376 -2.1096 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9705 -2.9345 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7192 -0.7788 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1759 -4.3380 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1313 -3.5297 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8352 -4.2818 0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8687 -4.2779 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 -2.7963 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5281 -1.8393 2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 -1.2001 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4196 -2.1449 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7288 -0.8780 2.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2075 0.1149 2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5881 0.9192 -0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.1094 0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7493 2.3017 0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0309 2.1496 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 2.0306 2.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 0.4802 3.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 -1.3478 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 -0.9877 2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 0.8659 0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 1.7389 2.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 1.9428 2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 5.0032 1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7582 5.7648 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 6.8666 1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 8.0246 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8922 8.0951 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 6.5607 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 5.9441 -1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -0.4646 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 -0.6797 -2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 2.1016 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3085 1.7238 -3.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 2.2684 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3163 0.6251 -4.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2848 -0.2344 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3683 0.6422 -2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7599 2.7595 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 1.6716 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7269 0.3368 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7049 2.0008 0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9557 1.6155 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2844 2.7603 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3057 1.3254 -2.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8664 1.3769 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4325 -0.7532 -2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8635 -0.9488 -2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9787 -1.3046 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4606 -2.3963 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4100 -1.8955 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6186 -1.2675 -1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1195 0.2606 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2428 1.1455 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9884 0.1971 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8042 0.1185 2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3589 -1.7258 3.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6745 -2.3202 2.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8488 -2.1513 0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5512 -3.5542 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5597 -3.9085 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5002 -2.5042 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2604 -3.2166 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5400 -4.4362 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5275 -4.7176 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3665 1.0206 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4074 -0.7565 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2699 0.1780 -0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1319 1.3242 -2.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4471 0.7673 -2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7019 -0.4350 -2.9089 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 1 0 9 11 1 0 11 12 1 0 11 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 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 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 51 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 49 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 1 10 77 1 0 11 78 1 6 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 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 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 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 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 58141 1 0 58142 1 0 58143 1 0 60144 1 0 60145 1 0 60146 1 0 M END