HMDB0284707 RDKit 3D PE(18:1(12Z)-O(9S,10R)/DiMe(11,3)) 131132 0 0 0 0 0 0 0 0999 V2000 16.3544 4.1708 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2170 4.4049 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1146 3.4022 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0067 3.6666 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8517 2.6862 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2748 1.2957 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 0.4259 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 0.7701 1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5115 -0.1393 1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7134 -1.4886 1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5908 -0.9846 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4341 -1.4708 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 -2.3635 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 -1.7703 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9572 -0.5361 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 -0.0047 2.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 1.1844 1.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 0.8797 0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.1696 1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -0.6126 2.6116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3638 -0.7484 0.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -1.7649 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 -2.2881 0.3433 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1068 -2.7409 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 -3.7827 -0.8733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 -4.2182 -2.3684 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2682 -3.0775 -3.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3091 -4.2636 -2.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -5.6057 -3.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 -5.5992 -4.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 -6.8452 -4.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -6.7557 -6.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 -1.2061 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -1.3693 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 -2.4287 0.8985 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -0.3235 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 0.7471 1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 0.4846 2.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5808 -0.1638 2.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8035 -1.5515 2.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1482 -2.1149 2.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3222 -1.3531 2.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3332 -1.3273 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5473 -0.6107 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5778 0.7923 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7804 1.5299 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8547 2.4365 -0.8392 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0785 2.8557 -0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5549 3.8780 -1.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8175 5.1436 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3178 6.2740 -2.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8632 2.1685 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3360 2.3029 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0422 1.3123 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4720 0.3875 1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9896 5.0758 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9320 3.9474 -2.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9718 3.3481 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8357 5.4291 -0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5609 4.1715 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4934 2.3687 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7327 3.5848 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3126 3.5051 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6084 4.6872 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0173 3.0381 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5496 2.8551 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0811 0.9350 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2453 -0.5831 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4267 1.8115 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0858 0.4975 2.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5709 0.2845 1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5893 -1.0602 -0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -0.5423 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 -1.9856 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 -2.6747 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9137 -3.3492 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3558 -1.5313 2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0003 -2.5524 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6118 0.2136 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2354 -0.8685 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1183 0.3674 2.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 -0.7652 2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 1.5311 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0439 1.9931 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 0.5919 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 1.8008 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.5882 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -1.3029 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -3.1334 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -1.8749 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 -3.1213 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5349 -5.1411 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1456 -4.7358 -4.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 -5.4079 -4.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -7.1497 -4.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9225 -7.6960 -4.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 -5.8454 -6.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -7.0819 -6.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6165 -0.7007 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2034 0.2278 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 1.2862 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5362 1.5242 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3515 1.5168 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 0.0187 3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8112 -0.1023 3.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3675 0.5512 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6677 -1.7773 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0532 -2.1948 2.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -3.1533 2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1933 -2.1720 3.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2898 -1.7480 2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2408 -0.3247 2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4477 -0.8098 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4038 -2.3814 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4881 -1.1698 0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4592 -0.6101 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5552 0.9246 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6862 1.3310 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8017 4.0859 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5220 3.5943 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6008 4.9578 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8893 5.4702 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9785 6.9493 -1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8518 5.9021 -2.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4386 6.8551 -2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6082 3.0927 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7476 2.5242 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7544 1.2974 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7609 -0.5943 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4090 0.7766 2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7314 0.2859 2.5006 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 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 48 52 2 0 52 53 1 0 52 54 1 0 54 55 1 0 11 9 1 0 54 46 2 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 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 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 18 85 1 0 18 86 1 0 22 87 1 0 22 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 28 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 53126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 M END