HMDB0284296 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 132131 0 0 0 0 0 0 0 0999 V2000 -1.1956 -0.6346 -8.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -1.5937 -7.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3506 -2.9421 -8.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7915 -4.0223 -7.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 -4.2062 -6.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 -3.0834 -5.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 -2.9403 -4.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 -3.8253 -3.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8018 -4.2261 -2.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 -5.4578 -2.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 -6.6333 -3.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 -7.6374 -2.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 -7.6649 -1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3577 -6.6951 -0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 -7.2051 0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3914 -7.2341 1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 -6.7980 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3865 -5.6740 1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -4.3817 1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 -4.4058 2.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -3.1058 2.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 -2.6894 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 -3.4307 0.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4959 -1.4284 1.5706 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2685 -0.9615 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 0.5089 0.7055 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8689 0.7587 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 2.0314 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 2.3444 -1.0306 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7618 1.2901 -0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1269 2.3178 -2.6182 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2496 3.8936 -0.6221 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8796 4.4983 -1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3538 5.8609 -1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3075 6.7223 -0.8131 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.2702 0.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 2.0018 1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 2.0150 2.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3297 2.7281 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 3.3481 1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 4.4275 2.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 5.0576 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 5.0989 4.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 4.5441 5.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7874 3.5232 6.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 2.3023 6.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.7875 5.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 1.2734 6.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 1.7051 7.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 2.8017 6.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 3.2479 6.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 4.3506 5.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 4.9718 4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 5.4861 5.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 6.0311 4.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 6.6168 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5418 6.2164 2.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 5.6837 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 -0.6470 -9.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 0.4015 -8.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 -0.8939 -8.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -1.1940 -8.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4883 -1.4272 -6.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1122 -3.0875 -9.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 -4.9844 -8.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -4.9941 -6.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 -4.7705 -6.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 -2.3044 -6.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -2.0301 -4.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 -3.1970 -3.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 -4.6580 -4.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -3.4314 -1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5131 -5.5746 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -6.3701 -4.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -7.2127 -3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -8.5572 -3.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -8.5958 -1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2983 -6.1291 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5863 -5.8653 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -7.5528 1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 -7.6099 2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -7.7474 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -6.7156 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7981 -5.9797 2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -5.4288 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -4.0429 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 -3.5795 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0464 -4.5772 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 -5.2038 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 -2.2973 3.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0769 -3.2429 3.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2866 -0.9591 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -1.5513 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 0.4484 1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 0.0415 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 0.5739 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 1.4787 -3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0511 4.7055 -2.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6897 3.9073 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8611 6.3211 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 5.6815 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 6.8275 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0862 6.7064 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 2.0109 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 3.4627 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1174 3.8112 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8383 2.5610 2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 5.2263 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9866 3.9928 3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6524 5.5116 2.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9301 5.6145 5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8776 5.3843 6.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 4.2947 5.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 3.8779 6.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 1.5983 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.8403 5.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6701 2.4508 5.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 0.4370 7.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 1.2340 7.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 3.2663 5.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 2.7778 7.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6156 5.2138 6.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3606 4.0698 5.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 4.1474 4.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 6.1715 6.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 6.3538 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 7.3802 2.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 7.1708 2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 5.5635 3.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 6.2981 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 5.8331 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 4.6504 0.9120 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 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 31 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 54125 1 0 55126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 58132 1 0 M END