HMDB0261387 RDKit 3D PE(18:3(10,12,15)-OH(9)/18:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -3.6847 3.4901 -4.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 3.4666 -4.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7435 2.1009 -4.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9403 1.0634 -3.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 -0.3002 -3.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 -0.8752 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8463 -1.2677 -1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3162 -1.8262 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1051 -2.2236 0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6258 -2.7920 2.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -3.8387 2.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -3.4050 1.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -3.9649 3.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4185 -4.5682 3.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -5.0866 4.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 -5.6934 4.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -4.6910 3.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 -5.1930 3.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 -4.0486 3.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1223 -2.9141 2.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 -4.1343 2.7858 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -3.0228 2.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 -2.6102 0.9672 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2307 -3.8294 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5087 -4.2056 -0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4481 -5.5544 -1.2797 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6286 -6.6761 -0.6823 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0269 -6.1549 -1.5364 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 -5.1461 -2.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 -6.0955 -3.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -5.7275 -4.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1802 -6.7124 -4.8781 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 -1.4889 0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -0.3848 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 -0.4404 0.3723 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6058 0.8140 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 1.8747 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 1.4802 -1.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 2.5306 -1.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 2.8175 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 3.8215 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 3.9666 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 4.4641 1.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 5.5688 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 6.4524 2.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 7.8346 1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 7.7536 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 9.1172 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 8.9770 -1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 10.3426 -1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7719 10.1771 -3.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 9.2169 -3.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 3.2794 -3.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 2.8263 -5.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3799 4.5307 -4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 3.9358 -5.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5082 4.1375 -3.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8314 2.0125 -4.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 1.2299 -3.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5617 -0.3470 -3.8452 H 0 0 0 0 0 0 0 0 0 0 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24 85 1 0 24 86 1 0 28 87 1 0 30 88 1 0 30 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 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 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END