HMDB0287221 RDKit 3D PC(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/20:2(11Z,14Z)) 145144 0 0 0 0 0 0 0 0999 V2000 3.1853 -4.0487 6.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 -3.3869 6.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 -2.1954 5.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 -2.0672 4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 -3.0634 3.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -3.4770 2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 -4.7094 1.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 -5.8181 2.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3543 -6.4951 3.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 -7.5157 4.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 -7.2166 1.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 -6.6300 1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 -7.4107 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -6.9146 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 -5.4745 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -5.4740 -1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -4.9111 -2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -4.2323 -3.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 -4.9004 -4.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -4.3335 -5.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4973 -2.9235 -5.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -2.1306 -6.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2158 -0.6851 -6.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2366 -0.4169 -5.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 0.3020 -7.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 1.6478 -7.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 2.5555 -6.0685 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2900 2.2436 -4.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 3.0971 -3.8039 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 2.6000 -2.5871 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1873 1.7445 -3.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 3.9825 -1.9724 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2741 1.8171 -1.3518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6504 0.4863 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 -0.2472 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5262 -0.3143 -0.2528 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0192 -1.5519 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 0.7581 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -0.1390 -1.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 3.9297 -6.4772 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 4.7876 -6.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 4.2570 -5.8672 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 6.2130 -6.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 7.1339 -5.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 6.9062 -4.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 7.8574 -3.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5732 7.6293 -1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 6.2649 -1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 5.9495 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 4.5801 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 4.1670 1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3624 5.1260 2.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 5.7418 3.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 5.5201 3.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1669 4.9824 5.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 3.8129 5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 2.8396 4.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3339 1.5583 4.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 0.9692 5.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.3105 5.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 0.0643 5.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 -3.5226 7.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -5.1016 6.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -3.9995 5.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9545 -3.0259 7.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -4.1576 5.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -1.3733 5.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 -1.1095 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5193 -2.5767 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -3.9287 3.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 -2.6904 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9931 -4.8985 0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2281 -5.6940 3.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2263 -6.6615 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -5.8543 3.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -7.1969 4.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0431 -8.2410 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7987 -5.6075 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -8.4755 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -7.5564 -1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 -4.9235 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 -4.9911 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -5.9662 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -4.9651 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 -4.1928 -3.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 -3.1642 -3.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 -5.9789 -4.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 -4.9203 -6.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5768 -2.8999 -5.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -2.4537 -4.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -2.5673 -7.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -2.2148 -6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 1.9432 -8.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 1.8499 -7.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 2.4176 -5.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3554 2.1460 -5.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 1.2565 -4.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -0.0232 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 0.5002 -0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -1.2954 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 0.2091 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -2.2215 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 -2.0891 0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -1.3534 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 1.0293 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2463 1.6446 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0284 0.4218 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -0.4909 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0471 0.9382 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -0.7381 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 6.5790 -6.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 6.3222 -7.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7287 8.1816 -5.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 7.0694 -5.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6155 5.8488 -4.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 7.0626 -4.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 7.6277 -3.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 8.8988 -3.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 8.3790 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5297 7.7680 -1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 5.4371 -2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1003 6.2266 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 6.6821 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 5.8825 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 4.5088 0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 3.8133 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1638 3.8563 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 3.2144 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 5.3532 2.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0503 6.4563 4.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 5.0138 2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 6.5750 3.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 5.6012 5.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 3.5014 6.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 3.2190 3.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2226 2.6200 4.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 0.7918 3.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 1.7200 4.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 0.7321 6.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 1.6421 6.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0822 -0.9873 5.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7892 -0.8228 6.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 -0.7154 6.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 0.1053 4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9546 1.0070 6.1818 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 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 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 1 28 96 1 0 28 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 37102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 39110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M CHG 2 32 -1 36 1 M END