HMDB0298020 RDKit 3D DG(a-21:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 126125 0 0 0 0 0 0 0 0999 V2000 -17.3668 -1.8707 -2.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9615 -2.2264 -2.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9782 -2.2957 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2371 -1.5312 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3252 -0.5377 -0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8532 0.3050 -1.4374 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9896 -1.1530 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4213 -1.7271 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2341 -1.2870 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7104 -1.8687 2.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5743 -1.4982 2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7169 -0.4444 1.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6211 0.6400 2.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0177 1.8416 2.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6042 2.3156 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7658 3.4327 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1534 3.4209 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1113 2.3805 -1.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6325 1.9519 -1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1263 1.3534 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6826 0.9806 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0336 1.3288 -1.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 0.2844 0.8477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7749 -0.1307 0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 1.0636 1.1640 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8978 1.8740 0.0478 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 0.8460 1.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 0.3190 1.0511 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 -0.8786 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 -1.7476 0.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 -1.1507 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 0.0394 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 -0.1562 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 1.1048 -0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 1.3659 0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8445 0.4186 1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2001 0.0028 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8018 -0.7237 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8885 -0.2837 -1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4866 0.9931 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8336 1.4472 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 0.7262 -1.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3253 -0.5969 -1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6338 -0.5186 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8427 0.3002 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1266 -0.1637 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6808 -1.4517 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9146 -2.6964 0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0514 -1.6671 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9810 -0.5248 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7954 -1.0124 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0560 -2.7455 -2.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3221 -1.7725 -3.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2020 -1.6212 -2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8048 -3.2721 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6537 -3.0324 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3350 -1.6772 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0377 0.1505 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1258 1.1869 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0795 -1.9739 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3006 -0.3892 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9392 -2.4970 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7839 -0.5249 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3012 -2.6669 2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2498 -1.9962 3.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0642 -0.2041 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7164 -0.9567 1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1818 0.3608 3.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9047 2.5837 3.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6262 2.7445 1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7180 1.6009 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6803 4.3048 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5536 4.3297 -0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6412 1.4612 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4883 2.8313 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0421 2.8470 -1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6695 1.1692 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7075 0.4170 0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2912 2.0492 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 -0.6072 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 -0.9300 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5387 1.7058 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 2.6840 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 0.2513 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2092 1.8378 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 -2.0498 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 -1.4042 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 0.9254 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 0.2060 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5851 -0.9905 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7141 -0.1957 -2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5377 1.2746 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0152 1.9302 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 1.7339 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 2.3837 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1573 -0.4861 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8069 0.9103 2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9315 0.9204 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5357 -0.5968 2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2427 -1.7530 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8193 -1.0992 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -1.0939 -1.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9373 -0.4115 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 1.8745 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4029 1.0458 -2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9526 1.7415 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9129 2.5046 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9692 1.3492 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9975 0.5841 -2.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3102 -0.9446 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6428 -1.4031 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7082 -1.5227 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7740 -0.0334 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6760 1.3784 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9745 0.3506 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8843 0.6660 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1321 -0.2218 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9600 -1.3000 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3920 -3.0325 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2649 -2.7310 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6273 -3.5808 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8795 -1.6941 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4504 -2.6192 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0294 -0.8708 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7999 0.3625 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9051 -0.3485 1.2454 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 5 7 1 0 7 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 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 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 47 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 1 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END