HMDB0113118 RDKit 3D PE-NMe(18:1(11Z)/18:3(9Z,12Z,15Z)) 128127 0 0 0 0 0 0 0 0999 V2000 7.4701 -1.9300 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5415 -1.3247 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7751 -1.9886 1.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8262 -2.6431 2.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 -2.8094 1.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5475 -2.2013 2.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -1.2083 2.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 -0.5446 1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 0.8592 0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 1.7670 1.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 1.6163 3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 2.4807 4.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2111 3.9476 3.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 4.8607 4.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 4.8293 4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 5.1045 3.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0709 4.2009 2.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0041 4.7039 1.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 5.7638 1.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 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0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -4.1277 1.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 -5.0661 1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5231 3.6035 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 2.3669 -0.9372 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4548 1.3493 -1.0042 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6864 2.0518 -0.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7561 0.8243 -2.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 -0.0619 -0.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2529 -0.9808 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0678 -2.2198 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1279 -3.1978 0.2007 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9406 -4.3906 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 -1.7984 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5214 -3.0158 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 -1.4440 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5007 -1.3094 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 -0.2577 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7811 -1.9392 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1108 -3.1020 3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -3.9480 1.7438 H 0 0 0 0 0 0 0 0 0 0 0 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0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 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 33100 1 0 34101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END