HMDB0261622 RDKit 3D PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)-OH(17)) 126125 0 0 0 0 0 0 0 0999 V2000 4.5219 7.8254 -3.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 7.8485 -4.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 7.9385 -4.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 7.0458 -4.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 5.8220 -4.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 5.7500 -5.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 4.7400 -5.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 3.6176 -4.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 3.5405 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6954 2.4901 -4.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 1.2791 -4.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 0.1406 -3.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -1.1275 -4.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5774 -2.2719 -3.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 -3.5217 -4.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 -3.2259 -5.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -2.7844 -4.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 -3.7510 -3.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4068 -4.9637 -3.4553 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6349 -3.4186 -2.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1716 -4.3201 -1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0189 -3.5673 -0.4348 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0163 -4.4809 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5311 -5.3783 1.0916 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7967 -6.3511 1.6779 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4382 -7.7872 1.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -5.9867 0.7944 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -6.1108 3.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -5.0444 3.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5387 -4.8766 5.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 -3.7659 5.8258 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3194 -2.7273 0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -1.3563 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -0.8307 -0.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -0.5185 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 0.9530 1.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 1.7174 2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 3.1672 1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 3.9863 1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 3.6012 1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 3.9183 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 3.1069 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 1.6498 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 1.3734 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 0.9235 1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 0.6217 2.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 -0.8035 2.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 -1.2304 3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 -0.3195 4.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9083 -0.4149 5.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3057 0.4638 6.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3266 -1.8151 5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8391 -1.8475 5.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5556 -1.4198 4.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 6.7789 -3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 8.0581 -4.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 8.4808 -2.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 6.9764 -5.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 8.7978 -5.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 8.8169 -3.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 7.2323 -3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 4.9894 -4.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 5.7756 -5.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 6.5441 -6.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 4.7100 -6.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4218 2.6671 -5.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 3.6523 -4.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 4.3995 -3.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6269 2.5207 -3.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 0.9644 -5.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 1.3003 -5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0841 0.0231 -3.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 0.4456 -3.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9064 -0.9013 -5.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 -1.3271 -5.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 -2.5149 -3.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -1.9544 -2.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9261 -3.7715 -5.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 -4.3296 -3.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 -2.5220 -6.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 -4.1990 -5.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 -2.5288 -5.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -1.8074 -3.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 -5.1215 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.7895 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 -2.8673 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 -5.0613 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 -3.8357 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 -5.3120 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6296 -4.1111 3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2084 -5.1992 3.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6188 -4.7319 5.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 -5.7909 5.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -4.0349 6.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 -2.9176 5.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -0.7720 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -0.6980 2.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 1.2307 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7959 1.2611 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9261 1.3968 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 1.4620 3.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 3.6176 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 5.0553 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8394 4.3607 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 2.6251 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 4.9787 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 3.3968 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1238 1.3130 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 1.1192 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 1.5805 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8374 0.7461 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 0.7620 2.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4922 1.3410 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 -1.5205 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0467 -2.3374 3.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0555 0.7052 4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9718 -0.7317 5.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4212 -0.1127 4.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8681 0.2839 6.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8579 -2.1957 6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0654 -2.5479 4.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0493 -1.1092 6.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1721 -2.8396 5.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0049 -1.8663 3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5089 -0.3210 4.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6227 -1.7039 4.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 50 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 6 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 31 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END