HMDB0285663 RDKit 3D PC(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/14:0) 131130 0 0 0 0 0 0 0 0999 V2000 -15.7884 -5.3976 1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6380 -5.4625 0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4038 -4.9425 1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7252 -3.9527 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1261 -3.2087 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0385 -3.2999 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4530 -2.2308 -1.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7861 -0.8374 -1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2226 -0.0146 -2.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6855 1.0813 -2.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5471 1.7769 -2.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8556 1.4218 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5809 1.0612 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7576 0.9912 -2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4783 0.6247 -1.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8290 0.2817 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3569 1.4255 0.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -0.6916 -0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9485 -1.0985 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -0.8965 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 -0.2722 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.9655 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 0.6957 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3303 -0.1570 1.8662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9975 1.4707 1.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 1.4068 2.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 2.2711 1.6626 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7308 3.7058 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 4.4074 2.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 5.9936 2.1641 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2780 6.1125 0.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 6.4395 3.3028 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1520 7.0727 2.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 6.6336 1.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 7.6854 1.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 8.8803 1.0774 N 0 0 0 0 0 4 0 0 0 0 0 0 4.2435 9.6980 1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 9.6118 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3941 8.4830 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 1.7048 0.4434 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0074 1.4805 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7013 1.8297 1.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6459 0.8772 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 1.2369 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9347 0.6483 -1.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9716 -0.8751 -1.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5896 -1.2789 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7085 -2.7584 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5685 -3.3968 -1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7094 -4.8875 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4166 -5.6354 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6379 -7.0923 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2872 -7.3075 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5093 -8.7907 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3883 -9.3605 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4356 -5.5885 2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3383 -4.4371 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5522 -6.1797 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5724 -6.5628 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0151 -4.9748 0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0360 -5.4638 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7978 -3.6547 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4447 -2.2344 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9688 -3.7951 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7593 -4.2740 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6450 -2.2255 -2.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8575 -0.5499 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5674 -0.8006 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1135 -0.4186 -2.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1646 1.5948 -3.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7725 1.8878 -2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8410 2.9254 -2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4084 1.4864 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1832 0.8169 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0394 1.1922 -3.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 0.5680 -2.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5457 -0.2154 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9796 2.1805 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2257 -1.6152 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 -0.3530 -1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4933 -1.5782 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.2573 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -0.1253 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 -1.0414 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4537 1.3971 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 1.7539 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 0.3678 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 1.8291 2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 2.3138 2.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 3.6430 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5767 4.1696 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 5.7310 2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2185 6.3833 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3818 7.2928 1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 8.0127 2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 9.5713 2.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 10.7773 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 9.3389 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 9.6625 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 10.6348 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7162 9.1412 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 9.4175 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 8.1253 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 7.7439 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 1.3031 -1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5017 -0.2315 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5219 1.0529 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 2.3705 -0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5332 0.9799 -2.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 1.0345 -1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6721 -1.2174 -2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0004 -1.3367 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5948 -0.8316 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 -0.9117 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6762 -3.2000 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1178 -3.0046 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5666 -2.9582 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1158 -3.2178 -2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3740 -5.3043 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2163 -4.9965 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7502 -5.2694 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8683 -5.4511 -2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 -7.6008 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 -7.4972 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2866 -6.8431 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6012 -6.8860 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0423 -8.8207 1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5633 -9.3573 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7981 -9.8539 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -8.5777 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0546 -10.1163 0.1575 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 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 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 1 28 90 1 0 28 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 37 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 39104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 M CHG 2 32 -1 36 1 M END