HMDB0284511 RDKit 3D PE(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/24:0) 153152 0 0 0 0 0 0 0 0999 V2000 -4.1329 1.9415 3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7984 1.4300 3.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 2.5871 4.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 2.7445 5.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 1.8332 6.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 1.2948 7.0679 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9503 0.4341 8.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 0.4163 6.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -0.7757 6.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -1.5466 5.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7195 -2.7427 5.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -3.4580 6.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0825 -4.7214 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 -5.4719 6.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -5.1042 4.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 -5.9334 4.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 -5.5003 2.7621 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2989 -6.6685 1.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -4.7605 2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5085 -3.4548 2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 -2.5654 2.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -1.8270 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 -0.9295 0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8616 -1.6213 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.8457 0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 -0.8830 0.1427 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -1.4178 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1155 -0.3337 -0.6360 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1323 -0.7800 -1.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 0.3309 -2.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -0.1921 -3.6988 P 0 0 0 0 0 5 0 0 0 0 0 0 7.7483 0.6896 -3.6656 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 -0.0825 -5.2306 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 -1.8055 -3.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2525 -2.0116 -3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6913 -3.4620 -3.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8700 -4.3594 -4.4699 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.6647 0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 1.9759 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 2.3335 -0.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 2.9574 1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 3.2359 2.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 3.7306 2.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 4.9809 1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 5.4055 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 6.5909 0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 6.1325 -0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 7.1519 -2.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 6.6687 -3.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 5.3138 -3.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 4.7481 -5.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 3.3503 -5.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 2.8980 -4.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 2.8320 -3.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 2.3026 -3.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 2.8867 -3.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3633 2.9548 -5.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 1.5860 -5.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3299 0.6572 -5.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3144 -0.7258 -5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -1.5909 -5.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3234 -3.0013 -5.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3612 -3.7504 -4.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5321 2.7774 3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 1.1231 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9539 2.3445 2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 0.6895 4.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 0.9574 2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 3.3628 3.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 3.6501 5.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3805 2.4362 7.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 0.9791 6.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 2.1004 7.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 0.6277 8.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1495 0.8235 5.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 -1.1137 7.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 -1.0932 4.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 -3.1730 4.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -2.7755 7.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8372 -3.5794 7.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 -5.1581 7.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 -6.4324 6.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -4.1939 4.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 -6.8700 4.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 -4.9636 2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -6.7394 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3145 -5.3366 3.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4985 -3.0284 2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 -3.0122 2.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 -1.7709 3.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 -2.5370 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -1.2022 1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -0.0921 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6978 -0.4627 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1955 -2.2367 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 -1.8617 0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 0.2637 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7654 -1.6239 -2.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0765 -0.9930 -1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3002 0.4849 -5.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4319 -1.7315 -4.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9488 -1.3581 -3.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7421 -3.7479 -2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7550 -3.5104 -4.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8415 -4.1130 -4.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1635 -4.4017 -5.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 2.6155 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 3.9471 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 3.9930 3.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 2.3304 3.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 3.9634 3.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 2.9177 1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8848 4.8151 0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 5.7728 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3756 4.5534 0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 5.6224 2.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 6.8989 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 7.4201 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 5.9642 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 5.1563 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 7.5236 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 8.0303 -1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 7.3791 -4.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 6.5895 -3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 4.5937 -2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 5.4581 -3.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 5.3917 -5.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 4.8115 -5.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 3.0785 -6.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 2.6368 -4.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 1.8542 -5.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 3.5913 -5.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 3.6795 -2.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7353 2.0284 -3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 1.1819 -3.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9268 2.2961 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 3.9792 -3.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 2.4653 -3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8832 3.6740 -5.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4831 3.2430 -5.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 1.7329 -6.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 1.1632 -5.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9477 0.5390 -4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3228 1.0919 -5.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3069 -1.1634 -5.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -0.6949 -6.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0201 -1.5929 -3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3147 -1.1462 -5.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6742 -3.0000 -6.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 -3.4817 -5.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3986 -3.4400 -5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2851 -3.4693 -3.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2462 -4.8346 -4.8577 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 28 38 1 0 38 39 1 0 39 40 2 0 39 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 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 1 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 6 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 23 93 1 0 23 94 1 0 27 95 1 0 27 96 1 0 28 97 1 6 29 98 1 0 29 99 1 0 33100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 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 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 62149 1 0 62150 1 0 63151 1 0 63152 1 0 63153 1 0 M END