HMDB0113647 RDKit 3D PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) 124123 0 0 0 0 0 0 0 0999 V2000 -14.4583 3.4740 -0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8407 2.0936 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4961 1.2781 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0257 0.1285 -1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7982 -0.5531 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8905 -0.7167 -1.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6807 -0.2275 -2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0887 0.5816 -0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9031 -0.1264 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6978 0.4094 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3157 1.7207 -1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7089 2.6916 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4527 2.6517 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7178 1.5854 2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6828 0.8348 2.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4111 0.9627 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5951 1.8068 1.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 1.0496 0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 0.1375 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8246 0.7083 2.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 1.7369 2.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 1.3543 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 2.1332 0.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 0.1751 0.3731 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1289 -0.1330 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 -0.3186 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -1.6303 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 -1.8385 1.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1202 -3.2724 2.6268 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2662 -3.0465 4.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -3.8983 2.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3366 -4.3356 2.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 -5.2429 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 -6.1886 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -7.1373 -0.1578 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2797 -8.0107 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5383 -0.5812 -0.5745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 0.1118 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.9576 0.6424 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 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1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 36 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 M END