HMDB0113238 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -12.2017 8.0564 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7335 6.6183 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8266 6.4957 0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0847 5.7348 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2288 4.9019 1.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1712 3.4746 1.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1827 2.6495 1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8085 3.1056 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8743 2.8989 2.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7748 2.1828 2.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2843 1.4475 1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9095 2.0500 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2381 1.3546 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9932 -0.1049 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1234 -0.1149 1.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7984 -1.4783 2.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -2.3792 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 -1.9058 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 -0.7211 0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 -2.7600 0.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 -2.4345 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9553 -3.7142 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -4.3943 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -5.6477 -2.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5859 -6.4481 -3.2710 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9232 -5.7793 -3.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -6.6241 -4.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8288 -7.9786 -2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -7.7367 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2243 -9.0116 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 -9.8853 -0.4991 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -10.3946 -1.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -3.5948 -1.6261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 -4.2330 -1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 -4.9288 -0.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 -4.1603 -1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 -3.3408 -3.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 -1.8792 -2.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4324 -1.2888 -1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -0.3429 -2.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 0.2696 -3.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1246 1.6681 -3.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 2.6221 -2.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 2.5801 -1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4851 3.5469 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 3.2613 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4385 1.9442 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2049 2.1985 2.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 1.9047 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4152 1.3194 2.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5725 2.2096 3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5794 3.5529 2.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7534 4.3940 2.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6966 5.7164 2.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0541 8.4380 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2966 8.1557 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5992 8.6891 -0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5285 5.8980 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0756 6.4392 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8682 7.0620 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3095 5.7529 2.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8767 5.3787 2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9610 5.0775 0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1733 2.9999 2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3941 1.5733 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6680 3.9786 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4770 2.2845 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0832 3.3798 3.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1421 2.0970 3.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8479 1.5271 0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1708 0.3621 1.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3107 2.2206 2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 3.0903 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 1.8786 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9158 1.3717 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9509 -0.6173 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4339 -0.5939 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 0.5293 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6431 0.4002 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2622 -1.4466 3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7732 -2.0022 2.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -3.3782 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 -2.6413 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9969 -1.9060 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 -1.7350 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1142 -4.3996 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 -4.4906 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 -3.7993 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -7.2970 -4.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0756 -7.2573 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 -7.0703 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 -9.5357 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -8.8170 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 -9.2959 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 -9.8236 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 -10.3476 -2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4592 -11.4361 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 -3.8705 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -5.2345 -2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -3.5149 -3.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -3.7410 -3.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 -1.3615 -3.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4455 -1.8053 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4771 -1.6768 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0272 -0.0285 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -0.2993 -4.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 0.0284 -3.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2796 1.9668 -4.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 3.6358 -3.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 1.6131 -1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4964 3.1110 -1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4119 4.5641 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 4.0789 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6263 1.2260 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3923 1.4844 0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2425 2.6403 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9009 2.1094 4.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5001 0.4204 3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5967 0.8923 1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5755 2.3619 4.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 1.6749 2.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6312 4.0852 2.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8235 3.3652 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7107 3.9042 2.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6787 4.5031 4.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 6.5321 2.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0316 5.7267 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7102 6.0376 1.9336 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 1 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 22 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 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 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 M END