HMDB0113092 RDKit 3D PE-NMe(18:0/18:4(6Z,9Z,12Z,15Z)) 128127 0 0 0 0 0 0 0 0999 V2000 13.1152 -4.7236 -1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7553 -3.9315 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9242 -2.5488 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3902 -1.4761 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4969 -1.5555 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1928 -1.0218 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0409 -1.6399 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9358 -3.0617 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9775 -3.2186 2.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9395 -4.0253 2.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 -4.8094 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4884 -4.6435 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 -3.8053 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 -2.7886 1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 -1.3582 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -1.3248 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 0.0412 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 1.0359 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 1.5061 1.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 1.4265 0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 2.3102 1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 1.5681 1.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4069 0.9378 1.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4906 0.1607 1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 0.0061 2.6541 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3463 -0.4480 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5576 0.4629 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3657 0.5491 1.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5777 1.3543 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7578 1.1723 0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6019 1.4916 -0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8760 1.2691 -1.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0390 2.0567 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2686 1.8882 -2.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8199 0.5638 -2.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2602 -0.2983 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2734 -0.8051 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9428 -1.7129 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5875 -2.9230 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2139 -3.7963 1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2127 -4.2891 2.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9445 -5.1561 3.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 3.4836 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 4.2456 -0.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 5.5594 -1.0921 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0002 6.1227 -0.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2824 5.0867 -2.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 6.7326 -1.4515 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 7.4241 -2.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 8.4978 -2.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9546 7.9068 -3.2325 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5842 7.3496 -2.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 -5.7276 -0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7766 -4.8885 -2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1899 -4.1908 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1985 -4.1282 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7675 -4.4201 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5835 -2.4266 -1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6274 -0.5199 -0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 -2.5248 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9896 -0.8202 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2209 0.0325 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -1.1009 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7767 -3.6511 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9162 -3.4450 1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1653 -2.6281 3.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 -4.0942 3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 -5.9170 1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5331 -5.0165 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -5.3899 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 -3.9041 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2241 -2.9216 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 -2.7674 2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0221 -0.7036 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -1.1761 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 -2.0182 -1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1821 -1.6737 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -0.0280 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9445 0.3816 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 2.6907 1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 2.3659 2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0562 0.9263 2.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -1.3752 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8301 -0.6905 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 1.4597 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 0.0541 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 0.9719 2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 -0.4939 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2532 2.4608 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9318 1.2744 2.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5697 1.8776 0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 0.1548 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8568 0.8943 -1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3917 2.6003 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5941 1.6795 -2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0167 0.1853 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2361 1.9790 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7780 3.1783 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0378 2.5861 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0658 2.4238 -2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6597 0.6681 -3.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0721 -0.0714 -2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8254 -1.1639 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0934 0.2189 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4600 -1.3965 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7467 -0.0456 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1043 -2.0245 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6350 -1.0745 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8492 -3.4942 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4335 -2.5752 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0313 -3.2776 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6167 -4.6985 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4720 -4.9919 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7154 -3.4740 2.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2201 -5.7759 3.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4534 -4.4525 4.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6664 -5.8381 2.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 3.1880 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 4.0900 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 4.6444 -2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5787 6.6618 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 7.9164 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8002 9.2140 -2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3319 9.1043 -3.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 8.6493 -3.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 7.4083 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 6.2646 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 7.9433 -1.1497 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 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 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END