HMDB0113214 RDKit 3D PE-NMe(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) 138137 0 0 0 0 0 0 0 0999 V2000 1.5265 -6.7284 -5.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -6.0304 -6.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5433 -4.6807 -7.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 -4.0965 -8.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -2.7181 -8.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 -1.8779 -7.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 -1.2992 -6.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 -1.4263 -7.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -0.1006 -7.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 0.3370 -6.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -0.4357 -5.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1324 -0.7131 -5.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0252 -0.3203 -4.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7167 0.4163 -3.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 -0.3632 -2.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5979 -0.6697 -2.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9501 -1.4735 -1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6458 -0.8146 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3455 0.4095 0.1971 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6805 -1.5492 1.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4234 -1.1502 2.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9804 -0.6206 2.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 -0.3254 4.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4576 0.7591 4.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3092 1.1246 6.2212 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2393 -0.1465 7.0799 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7253 1.9193 6.7911 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 2.1217 6.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 1.6821 6.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 2.6153 6.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 3.9350 6.2037 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 4.7666 6.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1714 -1.7002 2.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3481 -1.5417 1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -0.4077 0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4976 -2.6227 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 -2.4791 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 -1.5743 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 -0.1346 -0.3502 C 0 0 0 0 0 0 0 0 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0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 22 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 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 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 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 21 86 1 0 21 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 32 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 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 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M END