HMDB0113648 RDKit 3D PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/15:0) 129128 0 0 0 0 0 0 0 0999 V2000 -16.4279 -1.0850 -2.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1555 -1.1355 -1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1081 -0.4809 -2.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3756 0.5614 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4233 1.4382 -1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4212 1.1586 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1752 0.8160 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8265 0.6514 1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6259 1.5538 2.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7095 2.4582 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7411 2.7134 1.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3862 2.5712 2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4670 1.7262 2.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6361 0.7165 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4081 -0.6460 1.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4144 -1.3867 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4989 -0.9541 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0778 -0.8053 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1841 -0.3448 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 -0.0600 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 -1.2186 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7661 -0.5930 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.1109 1.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 -0.4924 0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 0.1332 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.0355 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -1.4296 -0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 -2.0832 -1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0631 -3.7307 -1.3557 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9978 -4.0083 -2.4903 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 -4.5452 -1.6346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 -4.3827 0.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8638 -5.3005 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 -5.8585 1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 -6.5157 1.5654 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 -7.6984 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7366 0.8038 -0.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 1.8535 -0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 2.0994 -1.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 2.7751 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7576 2.3725 0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 3.1451 1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 3.3850 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3768 4.0805 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8586 4.3695 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7177 3.1199 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1425 3.5328 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 2.3551 -0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8009 1.4185 -1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5980 0.2736 -2.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9908 -0.9098 -1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8716 -0.8524 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4314 -0.1902 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6737 -0.0327 -2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2020 -1.6358 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1620 -1.5664 -3.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4653 -0.8387 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8893 -2.2605 -1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8826 -0.9788 -3.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5901 0.8646 -3.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5739 2.5282 -1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3546 1.4700 -0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4847 1.2977 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0209 0.6322 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0765 0.6385 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8714 -0.3974 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3122 1.4165 3.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6008 3.1182 3.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8291 3.8385 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8169 2.1421 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1016 3.2533 3.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4937 1.7438 2.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5949 0.7879 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8579 0.9632 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0319 -1.0573 2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2985 -2.3895 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4185 -1.9008 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8393 -0.2034 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -1.7836 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0492 -0.0196 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1659 -1.1932 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6201 0.5247 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 0.7291 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 0.3883 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 -1.9726 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 -1.6154 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 -0.4370 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 1.1977 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 0.4700 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -1.8742 0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -1.5500 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -5.2615 -2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -6.1393 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 -4.8106 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 -5.0663 2.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 -6.6535 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -5.8244 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1462 -8.5063 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4121 -7.4234 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -8.0291 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0173 2.6248 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8517 3.8041 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0013 1.2639 0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 2.3589 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8566 2.6485 2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3471 4.1623 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6117 4.0563 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7957 2.4571 1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 5.0716 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 3.4674 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9438 4.8540 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 5.0805 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6898 2.7155 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3280 2.3631 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4863 4.2339 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3020 4.0752 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1321 2.8123 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9881 1.9738 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6657 2.0634 -2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7045 1.0736 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5736 0.7136 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1036 -0.0869 -3.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0836 -1.5949 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5367 -1.6327 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1858 -1.9095 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8699 -0.4008 -0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3072 -0.2041 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8246 0.8248 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7562 -0.7527 2.0161 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 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 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 31 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M END