HMDB0285973 RDKit 3D PC(16:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 137136 0 0 0 0 0 0 0 0999 V2000 2.0108 2.9915 -1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 3.3965 -2.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 4.7479 -2.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 5.1364 -3.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 4.1502 -3.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 4.5826 -4.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 4.9263 -5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 4.9129 -4.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8703 4.0837 -4.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2108 3.2045 -5.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 2.7951 -6.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1245 1.3145 -6.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 0.7047 -6.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 1.3950 -6.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 0.7777 -6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -0.6477 -6.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2891 -1.5039 -7.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 -1.1435 -5.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 -0.5591 -5.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 -1.2814 -4.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -2.7376 -5.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 -3.4142 -3.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3831 -3.2065 -2.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 -4.0627 -2.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 -2.1621 -1.7327 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8537 -1.8760 -0.5849 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8636 -0.7505 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -1.1621 -1.3088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3612 -0.3494 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2908 0.8592 -1.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 -0.8858 -2.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 -2.0130 -1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -1.7508 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 -1.2299 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -1.0652 2.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 -0.4456 3.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2332 0.9417 2.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3243 1.5982 3.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9655 2.9633 3.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 3.8230 4.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 3.5131 4.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 2.2825 5.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 2.2491 5.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8146 3.4229 6.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3015 3.5595 7.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 -1.9750 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -3.2503 0.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0722 -3.5964 2.1730 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2818 -5.0915 2.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 -2.9637 1.9336 O 0 0 0 0 0 1 0 0 0 0 0 0 3.5338 -2.9949 3.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 -4.0488 4.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 -3.5218 5.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 -2.6235 5.7813 N 0 0 0 0 0 4 0 0 0 0 0 0 0.4752 -3.0924 5.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 -2.4886 7.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0111 -1.3270 5.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 2.5391 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3418 3.8770 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 2.2499 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6912 3.4195 -3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 2.6099 -3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 5.5561 -2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 6.1704 -3.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 4.1125 -2.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 3.1149 -3.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 4.6383 -5.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6037 5.2629 -6.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 4.8298 -3.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1139 6.0462 -4.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7105 4.2319 -3.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2298 2.6888 -5.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 3.2609 -6.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 2.9632 -7.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0254 0.6637 -6.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -0.3714 -6.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6939 2.4656 -6.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 1.4287 -6.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 -0.8139 -7.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -1.6159 -8.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4615 -0.7385 -4.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 -2.2278 -5.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 0.5476 -4.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -0.7266 -4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5429 -2.9478 -5.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 -3.1596 -5.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 -4.5158 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 -3.1215 -3.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 -2.7987 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 0.1929 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -0.5180 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 -0.0566 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 -1.2872 -3.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -2.8196 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 -2.5789 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2151 -2.6912 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5704 -1.0455 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -2.0831 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -0.3836 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 -0.4000 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 -2.0624 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8216 -1.0751 3.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 -0.3257 4.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 1.6339 2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 1.0021 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9265 1.6733 4.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 0.8947 4.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 2.8538 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 3.4869 3.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0947 4.8487 3.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 4.1334 5.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 4.4129 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8925 3.5494 3.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 2.1068 6.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 1.4029 4.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 1.3103 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 2.2419 4.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9313 3.2103 6.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 4.3559 5.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 2.5926 7.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 4.1829 7.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 4.1428 8.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.7484 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 -1.2701 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9702 -4.7587 4.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3239 -4.6524 4.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 -4.3584 6.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 -2.9897 6.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 -2.3040 4.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -3.9793 5.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 -3.2854 3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -2.1245 7.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -1.8231 7.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -3.4837 7.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1171 -1.2547 5.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6141 -0.5408 5.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 -1.1771 4.2557 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 26 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 1 27 90 1 0 27 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 50 -1 54 1 M END