HMDB0261491 RDKit 3D PE(18:3(10,12,15)-OH(9)/18:2(9Z,12Z)) 124123 0 0 0 0 0 0 0 0999 V2000 16.6688 4.5755 -2.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5103 3.5970 -2.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2080 3.4853 -1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3036 2.2958 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0037 2.1731 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8954 1.2306 1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2357 0.5666 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1761 -0.3239 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4573 -1.0367 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4166 -1.8896 0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1295 -2.8573 1.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 -2.6428 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7565 -1.8549 -1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8608 -0.8231 -0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 -1.2953 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0124 -0.1139 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -0.6032 1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 -1.6950 1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 -1.2101 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 -1.1981 -0.9602 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 -0.7588 0.6027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.3007 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1617 0.0807 0.5821 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5354 -1.0921 1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 -2.1347 0.7323 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5145 -3.4438 1.6708 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3687 -4.4521 1.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7795 -3.0103 3.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8864 -4.2449 1.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4819 -5.3947 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 -6.0522 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 -5.1131 -0.9796 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 0.4749 -0.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9346 1.6991 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 2.5615 0.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 1.9355 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 0.5808 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -0.0266 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1888 0.7740 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5721 0.9024 0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2161 -0.4432 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6214 -0.3917 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5308 0.4152 0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1838 1.4840 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0812 1.9999 -1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2428 2.0903 -1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4843 1.7324 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9611 1.1581 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9360 1.8596 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3402 2.0935 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8788 2.7840 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7619 2.1312 -2.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0612 4.8866 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3563 5.4780 -3.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5068 4.0785 -3.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7811 2.6003 -2.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6516 4.0290 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9121 4.4007 -0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5952 1.3921 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7900 3.1820 1.4172 H 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89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 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 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 M END