HMDB0283419 RDKit 3D PS(20:4(5Z,7E,11Z,14Z)-OH(9)/22:5(7Z,10Z,13Z,16Z,19Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -3.8401 4.6692 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 4.7813 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 6.1073 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9285 6.3251 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 5.3132 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7631 5.6703 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8676 4.8710 -2.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4312 3.4197 -2.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 2.7354 -2.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 2.1133 -3.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 1.9860 -4.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 0.6299 -5.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 -0.1801 -5.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5528 0.0556 -4.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8189 -1.1502 -3.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0838 -1.2308 -2.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 -0.1019 -1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -0.2321 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 0.8564 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 0.7649 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 1.8095 2.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 1.5863 3.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 2.4495 4.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 0.3485 3.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 0.0586 3.8235 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3410 -1.0379 4.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 -0.4807 5.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 -1.1088 6.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 -2.2641 7.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 -0.4084 7.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6681 -0.8716 7.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -2.3384 7.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 -2.6567 6.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -3.5794 5.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8997 -3.8179 5.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 -4.7245 4.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 -5.6056 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -6.9411 3.8546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8221 -5.2593 2.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -3.9640 2.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -3.0033 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 -3.0604 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 -1.9191 1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -0.9846 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4835 -0.9843 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 -1.0328 -2.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 -2.2937 -1.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5402 -2.3131 -2.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 -2.3513 -4.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6932 -0.4698 2.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9495 0.4713 1.8778 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1106 -0.0786 0.7674 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.4442 0.4485 1.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1336 -1.7582 0.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 0.5024 -0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2429 1.8395 -0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9314 2.2747 -2.3288 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3087 3.6415 -2.5847 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 1.4104 -3.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 0.1620 -3.2819 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4245 1.9891 -4.2981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 5.5665 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 3.7671 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8349 4.6729 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 3.9599 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3282 4.5620 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 6.9813 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 7.3790 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 4.2926 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9266 5.5565 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1526 6.7175 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 5.2508 -3.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4115 3.2623 -2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 3.0907 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 2.8186 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 1.6367 -3.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0562 2.4982 -4.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 2.5871 -5.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7392 0.2078 -5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -1.2068 -5.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 1.0007 -4.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 -0.0375 -5.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 -2.1068 -4.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -2.2628 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1964 -0.1785 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 0.8783 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1824 -0.2190 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 -1.2024 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3641 1.8140 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4012 0.6777 0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3727 -0.2403 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6744 0.8978 1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 2.8353 2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 1.7721 3.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0857 0.8995 4.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2538 -1.3194 5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9085 -1.9005 4.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -0.6058 8.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 0.6763 7.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8038 -0.6369 5.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4601 -0.2513 7.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -2.4674 8.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -2.9593 6.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 -2.1020 7.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -4.1139 5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -3.1969 5.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 -4.8129 4.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3937 -5.7433 4.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -6.9448 3.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0489 -6.0848 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -5.4101 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -3.7922 3.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -2.0836 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 -3.1169 -0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 -3.9672 0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 -1.8784 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5898 -0.1501 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -1.6543 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 0.0647 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -0.1562 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 -1.0449 -3.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8868 -2.1638 -0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 -3.2109 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 -1.3497 -2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1735 -3.1912 -2.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5765 -2.7754 -5.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.0495 -4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -1.3510 -4.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3585 -1.4403 2.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6379 -0.6902 3.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3564 -2.1589 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 1.9220 -0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7426 2.4534 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8477 2.1748 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5482 4.2276 -2.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6487 4.0595 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0017 2.6508 -4.9128 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 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 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 2 0 59 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 54131 1 0 56132 1 0 56133 1 0 57134 1 6 58135 1 0 58136 1 0 61137 1 0 M END