HMDB0299913 RDKit 3D DG(i-19:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 123122 0 0 0 0 0 0 0 0999 V2000 -12.1251 -2.8666 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3648 -1.9987 -1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1058 -2.4718 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3800 -1.7959 1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9607 -0.3939 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1026 -0.3325 2.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8557 0.0644 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1029 0.5255 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8941 -0.2870 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6841 0.2304 1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4323 1.6345 1.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 2.4697 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3453 2.1375 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 0.8331 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1396 0.1336 -1.6526 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3346 -0.1302 -0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3964 0.5008 -2.8703 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1983 0.8824 -3.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 1.2520 -2.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 2.5666 -1.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8173 3.2036 -1.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 2.2843 -0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 1.4284 -1.5361 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 2.3990 0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 1.7580 1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.3026 1.6489 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9119 0.0259 2.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -0.6275 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 -0.2055 0.4772 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -0.7721 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0703 -1.8076 -0.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 -0.1015 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 -0.9106 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -2.2727 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 -2.1545 0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6441 -1.2844 1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 -1.2427 2.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 -0.4793 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2524 0.9716 2.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 1.5986 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4645 1.1615 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7772 1.5133 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9924 1.1194 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 -0.3562 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2907 -0.7827 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3884 -0.1594 -1.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6739 -0.6611 -2.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8010 -0.2034 -1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6951 -2.1730 -2.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2574 -2.4983 -0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8519 -2.8575 -2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3430 -3.9066 -0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0445 -0.9646 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0360 -2.1311 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4661 -3.5142 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9514 -2.3136 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6186 0.0520 0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9428 0.1916 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5575 -0.6577 3.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3050 0.0729 3.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0312 1.5946 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7624 0.2342 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9620 -1.3758 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7956 -0.4559 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8578 1.7241 2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3847 2.1519 1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5976 3.5648 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8736 2.9788 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7880 1.1266 -2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2595 0.1819 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -0.9795 -1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5363 0.4295 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9926 -0.5335 -3.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7179 1.3315 -4.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5601 1.3408 -3.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 0.5681 -2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5508 2.4594 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8594 3.3103 -2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 3.3745 -2.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 4.1328 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 2.3327 2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 1.9123 1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 0.0247 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 -0.9541 3.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 -0.8315 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8856 -1.6574 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 0.8882 -0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 0.1178 0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 -0.4013 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 -1.0640 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 -2.9558 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7283 -2.7247 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 -3.1899 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -1.7999 1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4206 -1.8458 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3538 -0.3358 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -0.9374 3.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 -2.3204 2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2434 -0.6686 4.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1456 -0.9150 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1918 1.2831 3.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4600 1.5289 3.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5403 2.7078 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3636 1.6733 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 0.1191 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4115 1.7594 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8182 0.9572 2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8138 2.5885 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 1.6800 -0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8743 1.4058 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0318 -0.8522 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1444 -0.7113 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2714 -1.8909 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1693 -0.5035 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 0.9423 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5005 -0.5017 -2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8000 -0.2536 -3.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9454 -0.9101 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7104 -0.0027 -2.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5214 0.7804 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 -2.5935 -2.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4584 -2.5093 -3.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9869 -2.5287 -1.4030 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 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 6 16 72 1 0 17 73 1 6 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 25 81 1 0 25 82 1 0 26 83 1 1 27 84 1 0 28 85 1 0 28 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END