HMDB0009331 RDKit 3D PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -4.8890 3.7810 -5.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 2.7833 -5.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 1.3619 -5.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5594 0.3458 -5.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0127 -1.0693 -5.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9152 -1.3396 -4.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3967 -2.7496 -4.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2648 -3.0306 -3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 -2.0881 -3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9468 -2.4310 -4.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 -3.8000 -4.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1464 -3.9020 -5.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -4.1401 -6.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 -4.3223 -4.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -3.2581 -5.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6866 -2.2960 -4.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 -2.1199 -2.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -2.1388 -1.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -1.0190 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6053 -0.9363 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 0.2212 -0.1449 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 -2.0204 0.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7343 -1.9848 1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8494 -1.4274 2.5466 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6895 -2.3817 2.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -2.5210 1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -3.6059 1.8579 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4690 -4.3390 0.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 -4.7375 3.0777 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 -2.9279 2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -3.5118 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2084 -2.8926 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 -3.0861 3.1902 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 -0.1870 2.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5633 0.9378 2.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 0.8009 4.0905 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 2.2073 2.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 3.2454 3.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 2.8566 4.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6517 1.6457 5.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 0.5517 4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 0.3571 3.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5826 0.1291 4.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 0.1324 5.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 0.3990 6.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 1.5602 7.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 2.4877 7.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 2.6758 5.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 4.0418 5.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 4.2724 3.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 3.2615 2.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3157 3.1350 2.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 4.2914 1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 4.8307 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 5.3412 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 3.4049 -6.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 3.8584 -4.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3126 4.7831 -5.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7587 2.9349 -6.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5148 2.9141 -4.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 1.2437 -4.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0322 1.2489 -6.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3921 0.5358 -6.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 0.4281 -4.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8522 -1.8093 -5.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6537 -1.1332 -6.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -0.6652 -4.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2179 -1.1396 -3.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 -3.4501 -4.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 -2.8245 -5.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 -2.9596 -2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9611 -4.0571 -4.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3463 -0.9853 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 -1.6429 -4.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 -4.5915 -4.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -4.0021 -3.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 -3.7685 -6.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 -4.2030 -7.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9427 -5.2926 -5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -4.3654 -3.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0698 -3.2826 -6.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 -1.5665 -4.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 -2.7759 -2.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 -1.0576 -3.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -2.0764 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 -3.1175 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -1.1440 -2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 -0.0665 -1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 -1.2704 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 -3.0092 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4453 -1.3590 3.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0894 -1.9872 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0664 -3.3731 3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1753 -5.2967 3.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -3.4675 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 -4.5845 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 -3.3697 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 -1.8063 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -2.5089 3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 -2.8688 3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 1.9817 1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 2.6176 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 3.4827 4.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 4.1758 2.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 2.8793 3.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 3.6994 4.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 1.6443 5.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 -0.3089 5.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 -0.5248 3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 1.1669 3.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 -0.1115 3.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -0.1688 5.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -0.5177 7.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 0.2878 6.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 1.6512 8.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 3.3015 7.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 1.9213 5.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 2.8568 6.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0504 3.9867 5.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 4.8301 6.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 4.1407 4.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 5.3316 3.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 3.4960 2.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 2.2737 3.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 2.8840 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 2.1924 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 3.9703 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4892 5.0859 2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 4.1219 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 5.6986 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5754 6.2035 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 4.6289 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 5.8150 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 1 25 92 1 0 25 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M END