HMDB0113461 RDKit 3D PE-NMe(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 126125 0 0 0 0 0 0 0 0999 V2000 13.9778 6.2303 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6842 5.4548 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4521 4.4956 -0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3915 3.1991 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5575 2.4809 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7105 1.5640 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6070 0.2887 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3644 -0.4501 0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1752 -1.4250 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2012 -1.5524 -1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9758 -0.8149 -1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6591 0.3204 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 0.3839 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 -0.7180 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 -0.2544 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 -1.3521 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8607 -0.9183 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -0.4085 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1575 0.0247 -1.3637 C 0 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16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 29 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END