HMDB0113233 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/20:0) 136135 0 0 0 0 0 0 0 0999 V2000 -15.1709 2.6330 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3539 2.6721 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6501 3.8641 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6727 3.9877 -1.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9491 2.9794 -2.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3531 1.6058 -2.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6937 0.5694 -2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3507 0.3918 -1.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4571 1.5238 -1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9995 2.0774 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3424 1.6141 0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0616 1.1970 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4212 0.0839 0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1592 -0.3834 1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1037 0.6991 1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6611 1.2038 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 2.2777 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 1.9501 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 2.7410 1.0056 O 0 0 0 0 0 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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 1 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 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 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