HMDB0113173 RDKit 3D PE-NMe(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -2.2120 -6.8297 3.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 -7.9554 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4023 -7.8676 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 -6.7936 1.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0784 -5.3719 1.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 -4.4722 1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 -3.5800 2.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 -3.3133 3.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6467 -1.9280 4.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -1.4583 4.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7787 -2.2321 4.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -1.4725 3.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 -1.8846 2.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 -3.1679 1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 -3.3695 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2323 -2.7299 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0088 -1.2724 -0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -0.6460 -2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4311 -1.3429 -2.7656 O 0 0 0 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4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 -0.2296 6.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 0.9305 6.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 1.7221 -4.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6232 2.4167 -5.5555 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 2.8784 -6.8002 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1470 2.3897 -8.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 2.1231 -6.6087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5116 4.5412 -6.8757 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 5.0535 -6.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 6.5628 -6.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 7.0111 -7.7881 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1283 6.6450 -8.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 -6.1581 4.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -6.3147 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 -7.2431 3.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 -8.0717 4.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 -8.9264 3.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1745 -8.8530 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 -7.8695 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3588 -6.8219 2.6308 H 0 0 0 0 0 0 0 0 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26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 47118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END