HMDB0113610 RDKit 3D PE-NMe(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) 138137 0 0 0 0 0 0 0 0999 V2000 2.6512 2.0802 2.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 0.6500 2.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 0.5812 3.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 -0.2538 3.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 -1.2753 4.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -2.6412 4.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 -3.6480 3.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 -3.5218 3.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 -3.9351 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -4.9335 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 -5.9139 1.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -5.8646 2.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 -5.7768 3.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 -5.7121 2.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -4.6365 2.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5816 -3.2661 2.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 -2.2781 2.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 -2.4807 1.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 -2.3218 0.2366 C 0 0 0 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49128 1 0 49129 1 0 53130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M END