HMDB0287313 RDKit 3D PC(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 141140 0 0 0 0 0 0 0 0999 V2000 -4.9276 5.3275 9.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4378 6.5622 9.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 7.3819 9.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3011 7.6550 9.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 7.1407 8.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 8.2568 7.4170 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2729 9.0718 7.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5643 7.5586 6.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 6.8078 5.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 6.1531 4.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 5.4095 3.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 4.7275 2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 3.9757 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5903 3.7690 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2237 3.0288 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 2.3026 -0.4387 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5261 2.7911 -1.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 0.8831 0.0755 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3298 0.9710 0.9929 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0114 -0.0653 -1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 -1.3988 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -2.5012 -1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 -3.7442 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 -3.8526 0.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 -4.8225 -0.5315 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -5.9728 0.2477 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7563 -7.2635 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8185 -7.2622 -1.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 -7.0513 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -6.8241 -0.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -7.0748 -2.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -6.4731 -2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 -5.0131 -1.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0276 -4.5229 -1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6368 -3.5704 -2.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.8690 -3.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8032 -3.0291 -4.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 -2.0211 -5.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 -0.6123 -4.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 0.0753 -4.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7315 1.1292 -5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 1.8158 -6.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7134 3.2116 -5.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 4.1578 -6.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 4.0156 -7.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 2.8583 -8.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 2.9063 -8.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 2.8958 -7.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 1.6842 -6.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 -6.0046 1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 -7.1366 2.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 -7.2387 3.5529 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7655 -7.8980 3.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 -8.1395 4.7336 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7486 -5.6867 4.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 -5.3792 5.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 -4.0000 5.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -3.5972 6.5495 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.0282 -2.1791 6.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9134 -4.3185 7.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -3.7327 6.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4932 4.7225 9.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6365 5.6548 10.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0632 4.7647 10.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 6.2368 8.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3775 7.1821 8.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 7.8019 10.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6927 8.2995 10.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 6.3472 7.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 6.6759 8.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5272 8.8744 7.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 9.9591 7.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5223 7.6479 6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 6.6934 5.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 6.2325 4.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2269 5.3366 3.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 4.8465 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 3.5189 0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 4.2660 2.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 2.9515 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 2.2071 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 2.9730 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2434 0.4895 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4381 0.2487 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 0.2884 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 -0.0799 -1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 -1.7469 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -1.3267 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3825 -2.2319 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0564 -2.6057 -2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -5.7986 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4414 -8.0389 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 -7.6182 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -6.6254 -3.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 -8.1700 -2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -6.9954 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 -6.6026 -3.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -4.4275 -2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -5.0213 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -5.0026 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6548 -3.2517 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 -1.8595 -3.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 -3.4135 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -4.0624 -4.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9097 -2.1622 -6.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -0.4968 -4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 -0.1737 -5.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8627 -0.3416 -3.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 1.5452 -4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2174 1.1963 -6.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8052 1.9388 -7.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 3.6539 -5.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 3.1893 -4.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 4.3195 -7.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 5.2118 -6.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 4.9549 -7.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 4.1144 -6.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 2.9017 -9.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 1.8533 -7.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 3.8161 -9.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 2.0168 -9.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 3.8135 -6.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 2.9406 -8.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 1.3454 -6.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 1.9238 -5.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 0.8865 -7.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 -6.0886 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 -5.0566 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 -5.4646 4.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 -6.1638 5.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 -3.9446 6.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9263 -3.2621 4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5631 6.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -1.8128 7.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 -2.1163 7.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -4.0007 8.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7842 -5.4130 7.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8224 -4.0523 8.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -4.7689 5.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -3.5586 6.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 -2.9562 5.3152 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 18 20 1 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 2 0 35 36 1 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 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 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 58 59 1 0 58 60 1 0 58 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 1 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 6 17 82 1 0 18 83 1 1 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M CHG 2 54 -1 58 1 M END