HMDB0113231 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 124123 0 0 0 0 0 0 0 0999 V2000 12.0000 -5.6846 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 -4.2816 -1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1317 -4.2885 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8128 -3.9068 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5615 -3.4022 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3863 -3.2720 0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7314 -2.1707 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0995 -0.8512 0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2126 -0.0932 1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0525 -0.3759 2.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2828 -1.6064 2.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 -1.4553 1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7712 -0.9385 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 0.4295 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6416 1.5569 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 1.9002 0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2019 0.9125 1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8819 1.6677 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 2.2320 2.0319 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 1.7527 -0.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 2.4397 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 1.9700 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 2.9367 0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 2.9785 -0.8953 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1068 4.0951 -1.0146 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5831 4.0976 -2.4459 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3234 3.5645 0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 5.6348 -0.6152 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 6.1928 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4184 7.5911 -1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 8.4345 -0.8904 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3381 8.8076 -2.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 0.6401 0.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -0.3433 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 0.0528 2.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9707 -1.7578 1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 -2.4843 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 -2.2099 -1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -2.4808 -1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 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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 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 M END