HMDB0113381 RDKit 3D PE-NMe(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 12.8567 0.7452 -0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1981 1.8873 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5448 2.7813 -1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8354 3.9765 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7272 3.5019 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9656 4.6462 1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 4.1240 1.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 3.2143 1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 2.6824 2.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7942 1.3892 2.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6537 0.3481 1.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3801 -0.4391 2.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3074 -1.7169 2.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -2.5861 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4918 -3.5009 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6743 -3.5811 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9073 -2.7448 -0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1356 -3.6004 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 -2.8215 -2.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 -2.0665 -2.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2159 -2.1705 -0.8358 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -1.2935 -2.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 -0.6028 -2.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 -1.6049 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -2.8382 -2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 -2.5810 -3.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -3.8738 -4.1251 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1976 -3.3246 -5.5229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4678 -4.7633 -4.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 -4.9357 -3.6688 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 -5.2211 -2.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 -6.2370 -2.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4193 -6.4684 -0.6115 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 -7.4395 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 -1.0475 -0.6599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -0.9137 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9721 -1.2991 1.4969 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 -0.3189 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 -0.3185 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 0.2058 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 1.5794 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2175 2.5566 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9784 2.2988 -0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4124 2.3759 -0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3174 2.6151 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1423 2.8804 1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 1.9800 2.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2526 0.8575 2.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6538 0.1229 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1037 -0.1937 1.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1353 0.8194 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3646 1.7923 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5375 2.7146 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8105 3.7154 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9436 4.6380 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2530 3.9618 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4121 1.0794 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1163 -0.0159 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5797 0.2083 -0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0108 2.4365 0.4267 H 0 0 0 0 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31 32 1 0 32 33 1 0 33 34 1 0 24 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 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 23 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M END