HMDB0113099 RDKit 3D PE-NMe(18:0/20:4(8Z,11Z,14Z,17Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -11.6045 3.5127 -2.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5043 2.0422 -2.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3041 1.7433 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3148 0.8921 -1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7531 0.1779 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7803 -1.2623 -2.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4534 -2.2146 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9080 -2.0808 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5897 -2.8116 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4468 -2.2818 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2900 -0.8399 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3499 -0.2462 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2109 0.3266 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7754 0.4390 1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6004 -0.1985 1.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2181 -0.0462 1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 -0.4564 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9072 0.0654 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9109 -0.5336 -2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 -0.1600 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 1.0277 -1.5887 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 -1.1838 -1.3727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 -0.9811 -0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -1.4821 -1.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -1.3734 -1.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 -2.0631 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -3.0177 -0.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 -1.7855 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 -0.4377 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9455 -0.1620 -0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 1.1586 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 2.3118 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2013 3.6163 -1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3169 4.3033 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7062 4.0588 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1818 3.2063 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 1.7646 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 1.0315 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 -0.4354 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3996 -1.3242 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8339 -1.2225 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3393 -0.0143 -1.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8705 -0.1262 -1.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4420 -0.2220 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -1.4324 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 -2.7489 0.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -3.1151 2.3583 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8912 -2.9144 2.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 -4.7062 2.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 -2.0849 3.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -2.1078 4.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -1.1957 5.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 0.1471 4.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 0.3941 3.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1921 3.5777 -3.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6307 3.8882 -2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9703 4.1602 -1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5359 1.3443 -3.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4146 1.9718 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0594 2.2355 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8574 0.7941 -0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2866 0.6111 -3.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8605 0.5250 -2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1822 -1.6469 -3.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5851 -3.2888 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6056 -2.6429 0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7755 -1.1131 0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6350 -3.9030 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5657 -2.9432 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8445 -0.9082 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2005 -0.2804 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6086 -0.2884 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6415 0.7669 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5658 1.5997 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6315 0.3484 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6782 0.0268 3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7787 -1.3502 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8688 1.0529 1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6158 -0.5731 2.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5276 -1.6138 0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4062 -0.2760 0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 1.1411 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 -0.3796 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -0.1097 -3.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 -1.6156 -1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 0.1791 -0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 -0.9519 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -2.5633 -2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 -2.5623 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -1.6967 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 0.3423 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -0.5189 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -0.2132 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5265 -0.9504 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4765 1.2587 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1922 1.1551 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 2.2641 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 2.2022 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 3.5819 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 4.3748 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3111 5.3830 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9092 4.7644 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2872 5.0765 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 3.7224 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6951 3.6349 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3064 3.4971 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0729 1.3662 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6012 1.4623 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 1.3707 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9904 1.2871 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6624 -0.7085 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 -0.7262 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8737 -1.2275 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1784 -2.4215 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3868 -1.3313 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2227 -2.1301 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0452 0.9307 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9229 -0.0818 -2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1295 -0.9655 -2.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2171 0.8381 -2.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5772 -1.2870 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4046 0.3516 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7730 0.2384 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.8369 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 -1.0972 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 -5.3126 2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 -1.8410 4.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -3.1311 4.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4834 -1.2901 6.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4961 -1.5076 4.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 0.5034 4.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 0.5397 2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 -0.3804 2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 1.3467 3.2579 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 1 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 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 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 49126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END