HMDB0113720 RDKit 3D PE-NMe(24:0/20:5(5Z,8Z,11Z,14Z,17Z)) 150149 0 0 0 0 0 0 0 0999 V2000 1.2049 -2.5878 -9.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -3.9471 -10.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -4.9264 -9.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 -6.0460 -9.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -6.6640 -8.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -6.0718 -8.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 -5.6234 -7.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -5.6735 -6.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4315 -6.4609 -5.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -5.9651 -4.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -4.5595 -4.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -4.6018 -2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -4.0624 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 -3.3407 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8839 -4.0629 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3371 -3.4264 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -1.9911 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 -1.6731 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 -2.0658 3.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3294 -1.6125 3.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -2.1793 4.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 -0.6041 3.4439 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3479 -0.1250 4.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.0361 2.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 0.3156 3.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 0.4001 2.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8409 0.1589 0.9967 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1951 0.7263 2.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5034 2.2104 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 2.9596 1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9883 4.4249 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 5.0571 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4809 4.5747 1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6304 5.4824 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9606 5.0997 1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3148 4.7961 2.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7379 3.5340 3.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1895 2.3389 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6022 1.0842 3.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0756 -0.1427 2.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4954 -1.3914 3.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0027 -2.6232 2.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6736 -2.7326 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1971 -2.8005 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -2.9918 -0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3027 -1.8962 -1.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6441 -0.5671 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1456 -0.6552 -1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -1.0973 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3307 -0.1516 -3.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6916 1.2982 4.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 2.0451 3.4684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4795 3.6100 3.7656 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6730 3.6031 4.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 4.3213 2.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2693 4.6014 4.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8853 5.5314 5.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 6.5108 5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 5.9444 6.7287 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 6.9994 7.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 -2.7728 -8.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 -1.8148 -9.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -2.4266 -9.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 -4.0983 -9.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 -3.7059 -11.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -4.6345 -10.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 -6.6382 -9.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 -7.1114 -7.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0338 -7.6708 -9.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -6.0124 -9.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 -5.1974 -8.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 -4.6110 -6.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -6.1901 -6.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -7.5240 -5.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 -6.5747 -3.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 -4.0033 -4.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1726 -3.9629 -4.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 -5.1456 -2.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2632 -4.1215 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 -3.4194 -2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8252 -2.3077 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0349 -5.1182 -0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -3.9783 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1418 -1.6019 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 -1.4069 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 -2.0775 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9823 -0.5537 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6602 -3.1332 3.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 -1.4715 3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 -0.6907 4.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 -0.9710 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7613 0.7660 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5922 0.4602 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 0.1197 2.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 2.5203 3.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 2.3039 2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 2.7582 1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 2.4640 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 4.8474 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 4.8819 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 5.0948 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 6.1626 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2793 4.6331 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7906 3.5709 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 6.5111 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 5.5478 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2939 4.2372 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6784 5.9234 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0395 5.6147 3.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4349 4.6599 2.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3081 3.3929 4.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7095 3.4861 3.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8713 2.4113 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3013 2.3249 2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8979 0.9815 4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 1.1551 3.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6356 -0.0648 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1731 -0.1336 2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -1.3556 4.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 -1.3411 2.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -2.7857 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5115 -3.4913 2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1382 -1.8464 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1842 -3.6653 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7273 -1.8917 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 -3.6914 1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2943 -3.9720 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7671 -3.1416 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0842 -2.1745 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4259 -1.7849 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0787 0.1588 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9264 -0.1789 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7116 -1.4164 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 0.3238 -1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6688 -1.1686 -3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 -2.1275 -3.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0902 -0.7201 -4.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 0.7595 -3.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5066 0.0694 -4.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 1.6930 5.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4975 1.2693 5.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7686 3.7854 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 6.1280 4.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5676 5.0410 5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5665 7.2500 5.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 7.1464 6.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 5.4536 7.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 7.6943 6.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 6.5127 7.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 7.5227 8.1316 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 2 0 20 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 28 29 1 0 29 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 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 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 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 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 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 50139 1 0 51140 1 0 51141 1 0 55142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 60148 1 0 60149 1 0 60150 1 0 M END