HMDB0113267 RDKit 3D PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) 126125 0 0 0 0 0 0 0 0999 V2000 4.1550 7.5107 6.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6345 7.4579 6.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 6.2126 6.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 5.3558 6.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 5.4886 4.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 4.3050 3.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7058 4.4289 3.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 5.6598 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 6.0206 1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 5.4368 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 4.2280 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 4.6609 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 4.5099 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9935 3.8840 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9035 2.6789 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3006 1.9809 2.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 1.4557 3.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 0.5174 2.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3163 -0.2766 3.5240 O 0 0 0 0 0 0 0 0 0 0 0 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1 0 23 85 1 0 23 86 1 0 27 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END