HMDB0261311 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)-OH(17)/18:1(9Z)) 130129 0 0 0 0 0 0 0 0999 V2000 -14.5228 1.2854 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8069 0.0560 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3149 0.2357 1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6767 0.6030 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8983 -0.4432 -1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2505 -0.0550 -2.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8122 0.2106 -2.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7960 -0.8122 -2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7512 -1.3737 -0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7111 -1.2947 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4336 -0.6448 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -1.6246 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3231 -2.8109 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2604 -2.6277 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 -2.2794 -3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 -1.1901 -3.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1659 -1.3465 -1.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 -0.1178 -1.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5835 0.8477 -2.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -0.0242 -0.9428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.1004 -0.8290 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0053 0.8065 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 -0.1588 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 -1.4472 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -1.9155 -0.7749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1491 -2.4201 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2073 -2.4144 1.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 -1.3188 2.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 0.0188 2.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 1.0197 2.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 1.1435 1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2077 0.0369 1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3755 -0.0583 2.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 0.9360 2.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1937 1.6106 2.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0082 1.5590 1.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7566 0.6905 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7711 -0.3375 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4856 -0.4677 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3245 0.4097 -1.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4916 1.2171 -2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9466 2.0358 -1.2861 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5929 0.7664 -3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4752 -0.3668 -2.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9233 -1.7504 -2.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5128 1.6682 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 2.0751 0.8663 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 2.7026 2.4174 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0758 2.0446 3.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5781 4.3639 2.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4532 2.4589 3.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 1.1742 3.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 1.0233 4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1891 2.0072 5.2034 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.5930 1.0049 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1508 1.6945 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5601 2.0782 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2402 -0.2254 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0349 -0.7703 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8214 -0.6654 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1318 1.0411 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9705 1.6179 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5844 0.6715 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6101 -1.4239 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0377 -0.5478 -1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4845 -0.8121 -3.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7598 0.9070 -2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6022 1.1238 -1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5285 0.6058 -3.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7647 -0.4100 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9291 -1.6824 -2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6157 -1.9445 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8654 -1.7792 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3194 -0.1791 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2916 0.1987 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3338 -1.0814 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 -2.0111 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2513 -3.4266 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4876 -3.5501 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1641 -1.9690 -2.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6275 -3.6626 -2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4854 -2.1976 -4.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 -3.2565 -3.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -0.1828 -2.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5314 -1.0168 -3.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -2.1965 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 -1.7254 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 1.8801 -1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6109 1.7767 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9784 0.5279 -2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.4096 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.4893 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 -2.4871 2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6188 -3.4279 2.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 -1.4108 2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 -1.5689 3.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 0.1886 2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 1.9763 2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8433 2.0245 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1453 1.5869 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 -0.8135 0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9021 -1.0300 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1771 0.3403 3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1707 1.6432 3.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5284 2.3271 3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9510 2.1649 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9795 1.4669 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7727 0.3159 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9436 -1.0284 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2163 -1.2921 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1415 -0.3235 -2.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3489 0.9637 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0201 2.1021 -3.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1727 2.5039 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1847 0.5465 -4.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3326 1.6554 -3.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3679 -0.3895 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9850 -0.2183 -1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4468 -2.4129 -3.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0996 -2.2454 -1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8518 -1.8497 -3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2266 2.5084 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 0.9152 1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 4.6312 3.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8143 0.9879 4.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 0.4436 2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1622 0.0212 4.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7166 1.2553 3.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7225 2.9083 4.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9607 1.6415 6.1410 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 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 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 6 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 50124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 M END