HMDB0113453 RDKit 3D PE-NMe(20:4(8Z,11Z,14Z,17Z)/16:0) 128127 0 0 0 0 0 0 0 0999 V2000 -12.4837 3.9213 4.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6018 4.3280 3.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4819 4.6649 1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4438 4.0394 0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5167 2.9273 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3239 1.7069 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2100 1.1293 -1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3105 1.5568 -2.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4155 0.4197 -2.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1148 0.4504 -2.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3946 1.6707 -1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5043 2.1191 -2.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2108 2.2436 -2.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4616 1.9349 -1.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4653 0.8301 -2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 0.4736 -0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6305 -0.5732 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3239 -1.7992 -1.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 -2.8779 -2.1296 C 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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 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 29 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 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 52128 1 0 M END