HMDB0113197 RDKit 3D PE-NMe(18:3(6Z,9Z,12Z)/16:1(9Z)) 122121 0 0 0 0 0 0 0 0999 V2000 -15.0797 3.0553 3.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8341 3.5385 2.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7058 2.7922 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4716 3.2003 0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5075 2.3344 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3654 2.6487 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4158 1.8044 -1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4261 0.3889 -1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5276 -0.4835 -2.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6870 -1.3962 -2.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4318 -1.6630 -2.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3034 -1.4190 -2.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3881 -0.5206 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2968 0.3768 -1.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9407 0.1027 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8961 -1.3150 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 -1.6922 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 -1.5871 -0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -1.3353 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1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END