HMDB0113753 RDKit 3D PE-NMe(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 154153 0 0 0 0 0 0 0 0999 V2000 -1.9111 9.3916 6.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 8.7507 5.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7407 9.3762 4.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9121 8.6843 3.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1738 7.2026 3.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 6.5805 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1765 5.9127 1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 5.6773 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 4.2130 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7892 3.5511 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 4.2050 -1.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 3.9344 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 3.3009 -3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 2.8217 -4.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 3.3834 -5.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 2.7116 -6.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.2520 -6.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8794 0.7213 -6.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 -0.6793 -7.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5829 -1.8019 -6.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 -1.9830 -5.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -3.2745 -4.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2369 -3.9609 -5.4597 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5531 -3.8515 -3.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -5.1285 -3.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -6.1243 -2.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -5.9653 -1.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -6.9641 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -7.8835 -1.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -7.1995 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4692 -6.4133 1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9601 -5.0032 1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7154 -4.2705 2.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 -4.0893 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 -3.4623 4.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 -3.2306 4.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 -2.1461 3.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 -1.8832 3.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 -0.8642 2.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 -1.1195 1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -1.4848 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7227 -1.6383 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 -0.3756 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2035 0.1969 -1.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -0.3945 -1.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 0.7092 -1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 0.2586 -0.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 1.2605 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 2.5055 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 3.4598 -1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7329 4.7402 -1.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 5.6696 -2.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 -4.9092 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -6.1276 -1.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -5.8452 -0.7455 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8393 -4.4946 -0.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 -5.8774 -1.6041 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 -7.0013 0.4895 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2492 -6.3479 1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2588 -7.3255 2.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -6.6233 4.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 -6.0316 4.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 9.7185 5.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5137 10.2325 7.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3433 8.6467 7.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 7.6832 5.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 9.0493 6.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 10.4567 4.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 9.2186 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3165 6.8129 4.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1643 7.1323 2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9576 6.7184 2.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 5.4820 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 6.0945 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 6.2160 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 3.7244 1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 2.4863 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 3.9447 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 5.3563 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 4.2919 -2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 3.1019 -4.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 1.6961 -4.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 3.0581 -3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 4.4884 -5.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 3.2451 -7.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.6903 -5.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 1.0593 -7.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 1.1009 -6.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2817 1.3290 -7.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -0.8928 -7.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -0.8277 -8.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 -2.7481 -7.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5271 -1.9782 -6.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -1.2143 -4.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 -1.9777 -4.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 -5.4953 -4.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -7.1665 -2.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 -6.1395 -3.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -7.1758 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -8.3294 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 -6.4162 1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -6.9553 2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 -4.4766 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 -5.0205 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 -4.7416 3.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -3.2528 2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 -3.4925 2.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 -5.1074 3.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2367 -4.2163 5.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 -2.5624 4.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 -2.9908 5.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 -4.1609 4.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5872 -1.1822 4.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1334 -1.9807 3.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 -2.8552 3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8382 -1.6693 4.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1811 0.1195 2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 -0.6204 2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 -0.2022 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1824 -1.9352 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -0.7792 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9119 -2.5042 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 -2.2132 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5885 -2.2826 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 0.0893 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 1.1399 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -1.2815 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 -0.4368 -2.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 0.9781 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 1.5521 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -0.6391 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 -0.0677 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0062 1.5498 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4765 0.7059 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 3.0935 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8668 2.3289 -1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 3.0430 -2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 3.7700 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 4.4276 -2.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3203 5.1980 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1688 6.2276 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 5.0293 -3.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 6.2746 -3.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 -4.6060 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 -4.2368 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1609 -6.4323 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2334 -5.7966 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -5.5880 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 -8.1248 2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -7.7463 2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -6.0568 4.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1725 -6.1534 5.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4101 -6.4739 3.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6691 -4.9463 4.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 1 0 34 35 1 0 35 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 2 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 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 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 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 26 97 1 0 26 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 57146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 62152 1 0 62153 1 0 62154 1 0 M END