HMDB0113343 RDKit 3D PE-NMe(20:2(11Z,14Z)/18:1(11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 16.4515 0.4575 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0866 1.1096 -0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3379 0.3570 -1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1610 -1.1018 -1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3653 -1.2373 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2132 -2.6561 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0427 -3.2185 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7177 -2.5572 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8905 -2.6704 1.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 -1.6510 2.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -0.2652 1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4432 0.5151 1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 -0.1772 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 0.5722 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 -0.0981 -1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 -1.5013 -0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 -1.8452 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 -1.4231 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.0084 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -0.0087 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5696 -0.2558 -0.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 0.2369 1.5625 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 0.2060 1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 1.2581 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1324 2.6479 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 2.9476 1.1547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 4.5005 1.6595 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9342 4.4565 2.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 5.0601 2.8357 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 5.6059 0.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4873 6.2252 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 7.1971 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 7.8839 -1.3945 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 8.7878 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.0698 0.8795 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 0.7032 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 0.5596 -1.3257 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0577 0.4868 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5647 -0.1313 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9499 -1.4846 -1.7226 C 0 0 0 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29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 24 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END