HMDB0272303 RDKit 3D PGP(20:4(5Z,8Z,11Z,14Z)-OH(18R)/16:0) 134133 0 0 0 0 0 0 0 0999 V2000 1.5130 9.0479 -2.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 9.2951 -3.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 8.5756 -3.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 7.0929 -3.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8052 6.3193 -2.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 6.6827 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 6.4353 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 6.7696 1.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0173 6.5334 2.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 5.1051 2.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 4.9117 3.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9419 3.4935 3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 3.1730 4.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 4.0610 3.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 3.6591 4.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8291 2.2432 4.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6234 2.0990 3.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3339 1.1125 4.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 -0.1543 4.4026 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4639 -0.9849 5.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 -2.2551 4.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 -3.2887 5.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 -3.0653 6.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 -4.6043 4.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 -5.3024 4.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5542 -6.6517 3.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3584 -6.6651 2.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9741 -7.0533 1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6813 -7.5296 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 -6.9766 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -5.8986 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -5.0331 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -4.9392 -1.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6379 -5.5599 -3.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -6.5475 -3.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 -5.9895 -4.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 -5.8441 -4.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 -6.1662 -3.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -4.9465 -3.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -5.4099 -2.5639 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0032 -6.3435 -3.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -4.2606 -2.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 -4.7971 -1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 -0.9124 3.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -0.2785 2.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 -1.0359 1.9768 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4612 -2.4942 2.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7449 -0.2654 2.4661 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2608 -0.8726 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 -1.0949 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -0.9918 -1.6289 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6181 -1.2655 -1.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 0.4359 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1996 0.9107 -2.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 2.5145 -2.5941 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0309 3.2126 -2.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 2.4582 -4.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 3.3204 -1.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 9.7551 -3.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 9.2002 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 8.0297 -3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 10.3711 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 8.8561 -4.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0945 8.9796 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 8.8454 -3.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 6.8969 -2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 6.7689 -4.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 6.4448 -3.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 5.2320 -2.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 5.9998 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 7.7148 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 6.9640 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6974 5.3412 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 7.8609 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0789 6.2613 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2126 7.2502 1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3967 6.7495 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 4.4888 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 4.8227 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8524 5.1166 4.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 5.6462 2.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 3.2245 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8108 2.7894 3.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 3.3096 5.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 2.1023 3.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 3.8568 2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 5.1007 3.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2122 3.7426 5.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 4.3338 4.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 -0.0168 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -1.0732 6.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 -0.4577 5.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2695 -4.4706 3.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2061 -5.2559 5.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8216 -5.5127 5.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -4.7058 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1632 -7.2343 4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -7.1593 3.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4117 -6.3062 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7497 -7.0222 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 -8.6269 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 -7.7734 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 -7.5713 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -5.6017 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 -3.8982 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6677 -5.0539 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 -4.1806 -1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 -5.2670 -3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -6.9289 -2.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2258 -7.4827 -3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 -5.6897 -5.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 -5.4098 -5.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -6.7173 -3.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 -6.8110 -4.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 -4.4385 -4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 -4.2656 -2.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 -5.8404 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9143 -6.4255 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 -3.4706 -1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -3.8071 -3.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -4.1413 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1649 -4.9097 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -5.8184 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 -0.9734 4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 -1.9489 3.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -0.5691 1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 -1.9905 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6154 -0.1980 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -1.7300 -2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1266 -0.5617 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 0.4871 -3.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8511 1.0544 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 2.9190 -4.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 4.0946 -1.1724 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 1 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 2 0 16 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 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 19 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 19 90 1 6 20 91 1 0 20 92 1 0 24 93 1 0 24 94 1 0 25 95 1 0 25 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 1 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 48126 1 0 50127 1 0 50128 1 0 51129 1 6 52130 1 0 53131 1 0 53132 1 0 57133 1 0 58134 1 0 M END