HMDB0113409 RDKit 3D PE-NMe(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 13.8185 4.4365 -2.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3458 3.6072 -1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0067 3.1160 -1.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3042 2.2263 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9554 2.6472 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9659 2.9396 1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1628 2.3216 2.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2927 1.1918 3.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0248 -0.0387 3.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7975 -1.1229 2.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7787 -1.2261 1.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8261 -2.2933 1.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -2.1101 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8912 -0.8267 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7775 -0.8869 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1897 0.4743 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 0.6288 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 0.0469 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 -1.3922 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 -1.7053 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 -2.7363 1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -0.8624 0.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 -0.9046 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -1.8330 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 -3.2627 -0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 -3.5558 -1.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1629 -5.1819 -1.3158 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7936 -5.6097 -2.6221 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2918 -5.5200 -0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 -6.0782 -0.9751 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1974 -7.3791 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 -8.3074 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 -9.6210 -0.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 -9.7070 1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 -1.6760 -0.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -1.1297 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7045 -0.7707 -2.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5711 -0.9282 -1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 0.5030 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 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29 1 0 27 30 1 0 30 31 1 0 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 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 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