HMDB0285563 RDKit 3D PE(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/P-18:1(9Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -17.1552 -2.4379 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3617 -1.2890 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1351 -0.5757 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6619 -0.4980 1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2917 -1.1075 3.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3692 -2.1266 3.8157 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.9991 -3.1574 2.9959 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2517 -1.3812 4.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1029 -1.1575 3.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0478 -0.4247 4.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9101 -0.1770 3.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6308 -0.6227 2.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4616 -0.3710 1.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2749 -0.8628 0.5225 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4386 -0.6597 -0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0726 -0.2038 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3204 1.2418 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5113 2.1273 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2429 1.7568 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1606 2.4178 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2136 1.7372 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1186 0.2914 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7512 -0.1053 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 0.4602 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 1.4787 -0.5178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 -0.2260 -1.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.0777 -2.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6174 0.0297 -2.6607 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3925 0.3601 -3.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 0.3550 -3.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 0.7289 -5.0350 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3120 -0.5717 -5.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 1.3048 -6.2473 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7661 1.8920 -4.5808 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7474 3.0175 -5.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 4.0451 -4.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4746 4.4547 -3.5559 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9931 -1.2439 -2.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 -1.6397 -1.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1751 -0.9569 -1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 -1.6452 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5673 -0.9821 -1.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9113 -1.6861 -1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 -1.0161 -2.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2971 0.3797 -2.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9808 0.6363 -0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3487 0.2241 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9582 -0.6612 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2540 -1.2730 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2208 -0.9051 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5796 -1.4865 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6346 -1.2298 2.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9008 0.2247 2.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0036 0.3582 3.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3164 -0.2454 3.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3800 -0.0524 4.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1038 -2.5721 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7265 -2.3290 -1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5352 -3.3777 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9951 -0.5492 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0103 -1.6036 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5848 -0.0839 -0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7115 0.0689 2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3040 -1.4773 3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3598 -0.2825 3.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0219 -2.5782 4.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7457 -2.8475 2.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3101 -0.9811 5.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0351 -1.5475 2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1618 -0.0406 5.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1053 0.3867 4.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3324 -1.1798 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7107 0.1757 2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1221 -1.9834 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2076 -0.8827 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1235 -0.6411 -1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2068 -0.5606 0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2687 1.5767 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8005 3.2064 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 2.3371 1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0974 0.7407 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2226 3.5180 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 2.3357 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9186 -0.2860 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0434 -0.0584 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -1.1987 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 0.2781 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 1.0542 -3.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -0.6855 -3.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 0.8150 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 1.3272 -4.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1837 -0.4979 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 0.7811 -7.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1242 2.6821 -6.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 3.4670 -5.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 3.6105 -4.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 4.9423 -5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 5.0030 -3.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 3.5894 -2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 -2.6762 -2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 0.0516 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 -2.7100 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 -1.4529 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 -1.0731 -2.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6323 0.0973 -1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1138 -1.8264 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7827 -2.7227 -2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5278 -0.9978 -3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8647 -1.6698 -2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3397 0.9860 -2.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8996 0.7803 -3.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0705 0.3813 -1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0485 1.7922 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3647 0.6071 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4408 -0.9351 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7076 -1.1449 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0987 -2.3876 0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8272 -1.4406 2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2246 0.1674 2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9076 -1.0462 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4693 -2.5761 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4901 -1.8207 3.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5974 -1.6248 2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0179 0.7391 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1676 0.7906 2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1545 1.3737 4.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6926 -0.2481 4.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6704 0.2551 2.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2457 -1.3318 3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4390 -0.8820 5.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1301 0.9203 5.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3542 0.0940 4.0721 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 28 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 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 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 1 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 1 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 27 88 1 0 27 89 1 0 28 90 1 1 29 91 1 0 29 92 1 0 33 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 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 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END