HMDB0288685 RDKit 3D PC(18:3(9,11,15)-OH(13)/24:0) 155154 0 0 0 0 0 0 0 0999 V2000 8.5196 1.5466 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5045 2.1979 -2.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0988 2.5036 -2.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 3.7464 -2.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 4.1533 -3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 3.0520 -3.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 3.6379 -3.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1899 2.4156 -1.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 1.3726 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3618 0.8632 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 -0.1728 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 -0.6424 1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -2.0659 1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -2.2453 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4481 1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7122 -1.6859 2.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8569 -0.8421 3.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 0.6178 3.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 1.1097 4.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 2.1128 3.6396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 0.4873 5.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 0.8273 5.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 0.7671 5.2943 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0555 -0.6689 5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 -0.6239 4.7773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 -2.1307 4.5188 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8209 -3.2093 5.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 -2.5621 2.8814 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.5874 -2.1663 5.1044 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 -1.3735 4.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7765 -1.2582 4.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0808 -0.7208 5.8830 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.2568 -1.3124 6.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4236 0.6926 5.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -0.7368 6.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 1.6056 4.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 2.5727 4.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 2.6491 5.2057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 3.5254 3.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2834 2.8956 1.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 3.9904 0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 4.9646 1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3886 4.6743 1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 4.3503 1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8072 3.2397 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 1.8742 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 1.0714 1.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8668 0.7810 0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -0.0614 -0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 -0.2126 -1.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 -1.0777 -3.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -2.4990 -2.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 -3.2799 -3.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 -4.7311 -3.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4957 -5.5115 -4.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 -5.3435 -4.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5139 -4.1351 -5.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9977 -3.5174 -6.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8465 -2.2942 -6.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 -1.5656 -8.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5949 -2.3687 -9.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7556 1.9898 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5032 1.6794 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 0.4382 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0897 3.1305 -2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9806 1.4838 -2.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4003 1.7195 -2.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 4.5790 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 4.7496 -4.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9973 4.8705 -2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5994 2.3385 -4.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5665 2.9356 -4.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 2.8396 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 0.9376 -2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 1.3319 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 -0.6690 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 0.0405 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -0.6312 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -2.5305 2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 -2.6435 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -3.3318 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 -2.1075 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5062 -1.7612 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -0.3667 1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 -1.5263 3.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0087 -2.7442 3.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 -1.1583 3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9089 -1.0646 4.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4947 1.1753 3.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6181 0.9330 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 1.8707 6.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 0.2056 6.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 1.1234 6.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -1.1597 4.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 -1.1866 6.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2838 -1.8437 3.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -0.3682 4.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2289 -2.2674 4.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 -0.6419 3.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0501 -1.3534 5.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -0.5620 7.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0168 -2.2888 6.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 0.7787 5.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 1.0940 4.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 1.2558 6.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 -1.7312 7.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 -0.1949 7.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 -0.1535 6.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 3.9777 2.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 4.3732 3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 2.2765 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 2.2533 2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 4.5593 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3114 3.5755 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1845 5.7668 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 5.6084 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 3.8824 2.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 5.6180 2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 5.3423 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4816 4.5638 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0674 3.2495 -0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7678 3.5222 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8104 1.9756 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6319 1.3181 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 0.0460 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 1.4357 2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 0.1269 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 1.6424 -0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 0.4381 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 -1.0502 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5099 -0.6826 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 0.7913 -2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 -1.0220 -3.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -0.5900 -3.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1374 -2.9164 -2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -2.6142 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 -3.2269 -4.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5867 -2.8016 -4.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2947 -4.8927 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -5.0737 -3.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -6.6135 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -5.4637 -5.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5346 -5.7577 -4.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1005 -6.1570 -5.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7434 -3.3156 -4.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5997 -4.4668 -5.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -4.2350 -7.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -3.2658 -6.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6397 -1.5831 -6.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8867 -2.5892 -6.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 -0.6836 -8.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4758 -1.1036 -8.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5223 -2.0792 -9.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7724 -2.1527 -10.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6936 -3.4636 -9.2638 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 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 55 56 1 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 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 33100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 35108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 61155 1 0 M CHG 2 28 -1 32 1 M END