HMDB0260731 RDKit 3D PE(18:1(12Z)-O(9S,10R)/14:1(9Z)) 116116 0 0 0 0 0 0 0 0999 V2000 -12.9609 5.1037 -2.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8823 4.4858 -1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6984 2.9742 -1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6198 2.3440 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4403 0.8962 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4313 0.1978 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3237 0.8691 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0244 0.6021 0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7485 -0.8573 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6238 -1.4589 1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5244 -0.8345 2.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2015 -1.0571 1.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0691 -0.4052 2.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7751 -0.6492 1.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0523 -1.6452 2.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 0.2020 0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -0.0515 0.2490 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0810 1.0816 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 0.7965 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 -0.2040 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5622 -0.8303 1.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -0.5223 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 -1.4533 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -0.8603 1.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4462 -1.6786 2.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 -2.1562 2.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8014 -1.2155 1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5387 -0.3735 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 0.5288 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8728 -0.2721 -0.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 0.7065 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8012 1.8533 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9226 1.9703 1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1670 1.8477 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5723 1.5838 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4487 2.6762 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7858 2.2624 -2.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5200 0.9618 -2.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8385 1.0061 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 -0.3758 -1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9607 -1.5002 -1.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0776 -1.8327 -3.1222 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1843 -0.9121 -3.9339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6731 -1.5190 -3.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7156 -3.4181 -3.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4175 -4.1530 -2.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1055 -5.5744 -2.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 -6.3549 -1.6257 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6917 6.1776 -2.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2646 4.5889 -3.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0135 5.0801 -3.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8490 4.6695 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0406 4.8865 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5523 2.5320 -2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7520 2.7902 -2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8796 2.9232 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6079 2.5786 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2230 0.3206 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4364 -0.8968 0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4607 1.9267 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2678 0.3668 2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1145 0.9359 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1895 1.2025 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8376 -1.0623 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5652 -1.3836 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5876 -1.5297 2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3034 -2.5285 1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4784 -1.3904 3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6956 0.2165 2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1668 -0.6450 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9989 -2.1446 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 -0.8923 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2297 0.6827 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 -0.9546 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 2.0428 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 1.2415 1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 0.4704 -0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 -0.8939 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 -2.4110 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0558 -1.6300 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 0.2109 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -0.8236 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6202 -1.0516 3.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8591 -2.5562 2.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -2.9229 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1981 -2.8279 2.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7726 -1.7886 1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0218 -0.5708 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6522 0.2478 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4137 -1.0469 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5307 1.2636 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9354 0.2025 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 2.7795 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0507 1.9228 -0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7054 2.1723 2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9911 1.9447 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8187 1.3053 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2771 0.6779 -0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3292 2.8863 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8645 3.6332 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8031 2.1097 -2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4117 3.0265 -2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7826 0.8216 -3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9181 0.0800 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1640 -0.0594 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5623 1.5327 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7510 1.4319 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 -0.6162 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 0.5107 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2761 -2.2905 -3.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -3.7234 -1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2605 -4.2045 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9738 -6.0088 -3.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2655 -5.5813 -3.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0118 -7.0137 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -5.7283 -0.8011 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 2 0 6 7 1 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 2 0 14 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 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 17 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 31 29 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 17 74 1 1 18 75 1 0 18 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 34 96 1 0 35 97 1 0 35 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 39107 1 0 40108 1 0 40109 1 0 44110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 M END