HMDB0113169 RDKit 3D PE-NMe(18:2(9Z,12Z)/18:0) 132131 0 0 0 0 0 0 0 0999 V2000 12.6950 -0.6954 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 0.5787 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3132 1.4487 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1702 1.9961 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1614 1.1819 -1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1252 0.3873 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6211 0.1992 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 0.8512 1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1305 1.7031 2.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 2.0711 2.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1317 1.7409 0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 3.0007 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 3.9813 0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 3.5362 1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 3.1286 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 2.7149 0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 1.5484 1.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 0.3017 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 0.3570 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 -0.8420 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1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 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 52132 1 0 M END