HMDB0287728 RDKit 3D PC(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:5(5Z,8Z,11Z,14Z,17Z)) 140139 0 0 0 0 0 0 0 0999 V2000 11.1633 -5.0745 2.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 -5.6181 1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8225 -4.5900 1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 -4.5197 2.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1815 -5.4733 3.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 -6.3356 3.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -6.4980 2.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -5.7835 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -6.8230 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 -6.8916 -1.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -5.9669 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2136 -5.0792 -2.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 -5.0669 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9785 -5.9127 -3.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9203 -6.6155 -4.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -6.4305 -5.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -5.5683 -4.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 -6.4169 -5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7355 -5.5824 -4.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 -4.3081 -5.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0861 -4.3277 -6.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3899 -3.1280 -4.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3269 -1.8638 -5.4878 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8181 -1.4897 -5.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5334 -1.6980 -3.9865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 -1.5091 -3.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -1.1269 -4.2111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0636 -1.7853 -2.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3352 -2.1252 -1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 -2.4805 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -1.4582 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3558 -0.9587 1.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7383 -1.4310 2.1756 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4561 -1.2123 0.9763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4273 -0.7124 3.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 0.5848 3.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8086 1.2757 4.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5508 2.5253 4.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5752 3.3409 4.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5643 3.7693 5.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 4.9987 5.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9103 6.0981 4.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 7.3353 4.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 8.5679 4.3674 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8356 9.6652 5.1525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5953 8.5011 4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0879 9.7733 3.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6809 9.9222 2.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9501 8.8311 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4403 8.6784 1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0661 -0.7893 -4.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 -0.5502 -3.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4439 0.6368 -2.6780 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5321 1.2639 -3.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1948 -0.1035 -1.3273 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4714 1.8688 -2.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 1.9964 -2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 3.0792 -2.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 2.9657 -1.0202 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.9502 4.2524 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5682 2.0025 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 2.5629 -1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8931 -5.9245 2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5613 -4.2980 1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9983 -4.7470 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0986 -5.9691 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5897 -6.5244 2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0597 -3.7833 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0346 -3.6210 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1113 -6.1068 3.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -4.9321 4.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 -6.9913 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3703 -7.2166 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 -5.1439 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 -5.1282 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 -7.4806 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -7.6506 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -5.3275 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -6.6559 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -4.4247 -2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 -4.3797 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 -6.7225 -2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 -5.2458 -3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 -7.2721 -4.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -6.9640 -6.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -5.0040 -4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3248 -4.8491 -5.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6163 -6.7002 -6.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -7.2689 -4.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6415 -6.1568 -4.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 -5.2998 -3.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 -1.8860 -6.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 -2.2602 -5.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 -0.4600 -5.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 -2.7038 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -0.9951 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 -3.0082 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 -1.2421 -1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 -3.3380 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 -2.9780 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -1.1017 0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 -0.2298 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8354 -2.5074 2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3635 -1.5854 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1362 -1.1818 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4226 1.0379 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 0.7523 5.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 3.0112 5.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 2.7969 3.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 4.1815 3.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 2.9194 5.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 5.1759 6.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 5.9808 3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 7.4401 5.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6655 8.7578 3.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 10.2922 4.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8783 7.5883 3.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0424 8.4383 5.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 10.6552 4.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 10.9598 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 9.0230 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6266 7.8632 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5808 7.6914 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0442 8.8378 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7781 9.4559 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1393 -1.1425 -4.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 0.1497 -5.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 2.2652 -3.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 0.9864 -2.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5422 3.1536 -3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 4.0555 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 4.0823 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 4.4618 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 5.0311 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 0.9933 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 1.9001 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 2.3540 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 1.4525 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 3.0849 -1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 2.7859 -0.1089 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 6 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 1 34104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 6 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 60132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 61137 1 0 62138 1 0 62139 1 0 62140 1 0 M CHG 2 55 -1 59 1 M END