HMDB0113388 RDKit 3D PE-NMe(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -14.0469 6.4364 -2.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7587 5.5956 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0681 5.1174 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8203 4.3064 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9607 3.0839 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5929 2.2138 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9275 0.9814 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7342 0.2938 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8921 -0.9178 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7668 -1.1673 1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1561 -0.2341 2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7320 0.1599 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8747 -1.0532 1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4522 -0.6968 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3895 0.0085 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0438 0.3331 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2004 1.2631 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 1.0345 1.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0626 -0.1838 1.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -0.4749 1.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6395 -0.6862 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 -1.0494 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -0.9831 -1.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -1.4481 0.6693 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 -1.8200 0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -1.0282 1.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 -1.5556 1.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -1.6072 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5524 -1.1767 -0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 -2.2197 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 -1.2368 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5236 -0.1050 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 -0.6034 -1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0225 -0.2978 -2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1092 0.5451 -1.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2957 -0.3290 -1.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4092 -0.1128 -2.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6578 1.0113 -2.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6918 1.9738 -2.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4739 2.0303 -1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5548 1.1629 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8520 0.4411 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0777 1.2862 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9824 2.1709 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2547 2.9392 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5588 3.8039 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4542 4.8073 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3793 5.6427 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 -3.3049 0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4946 -4.0675 -0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3062 -5.7098 0.2113 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5540 -6.4414 -0.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -6.0847 1.8266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9809 -6.2302 -0.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 -7.6049 -0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -8.0577 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -7.4237 -1.2111 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -7.8345 0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1185 6.6527 -3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6712 5.7806 -3.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5502 7.3628 -2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1958 6.1737 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1051 4.7798 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6807 4.5779 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6445 6.0297 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7759 4.0358 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2012 4.9523 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9838 3.4358 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6627 2.5759 1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7775 2.6646 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4014 0.3889 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7842 -0.1456 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5396 0.9049 1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2795 -1.6982 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2423 -2.1498 0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7101 0.7029 2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0174 -0.6595 3.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7829 0.6616 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2781 0.8724 2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8782 -1.6081 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2198 -1.7364 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0318 -0.1645 2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -1.6855 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0129 0.9676 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9107 -0.5783 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0964 0.7306 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5275 -0.6700 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 1.6989 -0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8767 2.2369 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5405 1.3480 2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 1.9325 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6919 -1.1142 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -0.1433 3.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0038 0.3146 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 -1.4173 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8981 0.1747 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 -1.5905 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.6934 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -1.0281 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 0.0494 1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 -3.0587 1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 -2.6562 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1436 -0.7316 1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 -1.7314 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2065 0.6328 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 0.3603 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 -1.2637 -2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 -0.7313 -3.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 1.4633 -2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 0.8849 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 -1.2150 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2606 -0.8652 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6804 1.5226 -3.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8782 0.5667 -4.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8337 2.7761 -3.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2118 2.8900 -1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7308 0.4988 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5159 1.8771 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0001 -0.3452 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8200 -0.2068 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3189 1.8403 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9351 0.5503 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8136 1.5978 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1122 2.8568 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0714 2.1602 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2151 3.5395 2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7004 3.2301 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5329 4.3230 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6764 5.4487 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4640 4.3706 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8237 5.0791 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4308 5.8000 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9305 6.6178 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -3.5065 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 -3.5369 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 -6.5820 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -7.8050 0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 -8.1709 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 -9.1442 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0689 -7.7380 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 -6.4033 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 -7.7842 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5798 -7.3094 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 -8.9208 0.1832 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 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 2 0 28 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 2 0 37 38 1 0 38 39 1 0 39 40 2 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 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 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 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 26 99 1 0 26100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 53136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 58142 1 0 58143 1 0 58144 1 0 M END