HMDB0299488 RDKit 3D DG(i-17:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) 116115 0 0 0 0 0 0 0 0999 V2000 16.8046 0.4910 -4.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8173 -0.6109 -4.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7530 -0.9706 -2.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6643 -0.8605 -2.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4166 -0.3476 -2.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9391 0.8006 -1.6603 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9385 1.7314 -1.5318 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 0.2591 -0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7445 -0.2034 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -0.7747 1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7632 -0.8138 1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0534 -1.3751 2.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 -1.4633 2.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 -1.0000 1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -1.1013 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -1.7241 2.2155 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3094 -0.9357 3.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -2.4033 1.4569 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0851 -3.0939 0.3416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 -1.5502 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 -0.2163 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4797 0.6251 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 0.7737 1.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8058 0.1774 2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 1.7637 1.7501 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1876 1.9190 2.8848 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5549 3.1620 3.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 3.4346 4.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 2.2212 2.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3317 1.4973 1.7234 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 0.2117 1.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -0.6704 2.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6343 -0.0814 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 -0.3082 -0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6634 -0.4280 -2.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2872 0.8207 -2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2161 1.5947 -1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5202 0.8900 -1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2482 1.7166 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5404 1.2157 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6387 -0.0808 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4106 -1.3251 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4009 -1.6363 -1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7368 -2.0648 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6295 -1.3214 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0957 0.0272 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8899 0.1044 -1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0934 0.4872 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7886 0.0381 -4.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9595 1.1345 -3.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4528 1.1661 -5.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2213 -1.5279 -4.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8923 -0.3857 -4.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7056 -1.3504 -2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7096 -1.1660 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4093 -0.0124 -3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 -1.1698 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 1.3482 -2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1993 2.1213 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9955 0.6599 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0669 -0.5375 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5979 -1.1857 2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 -0.3991 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 -1.7366 3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 -1.8940 3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 -0.5154 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 -0.6992 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.5594 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 -0.0287 3.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 -3.2790 2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 -4.0675 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 -2.1253 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -1.5326 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 0.3415 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 -0.3527 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 1.6718 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 0.2348 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 1.1190 3.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 2.8253 3.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 4.0083 2.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 3.5041 5.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 2.4475 3.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5842 3.2963 2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4783 0.5843 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0957 -1.0939 0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 0.4147 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 -1.2975 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -0.8239 -2.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -1.2678 -1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 0.5058 -3.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 1.4419 -3.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8772 2.2152 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6175 2.4184 -2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1022 0.7843 -2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 -0.0749 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3482 2.7613 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5368 1.9032 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0018 2.0074 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2444 1.2395 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8043 -0.0340 1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5413 -0.0375 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3867 -1.5633 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6888 -2.1611 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4760 -0.8440 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9301 -2.5208 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7166 -3.1421 -0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3106 -2.2415 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3569 -1.4235 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6155 -1.9624 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3481 0.8323 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7912 -0.5308 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1501 1.2028 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2074 -0.1391 -2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3159 1.5485 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5847 0.2042 1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9683 -0.1994 0.8110 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 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 18 20 1 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 6 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 16 68 1 1 17 69 1 0 18 70 1 1 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 26 78 1 1 27 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 47111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 48116 1 0 M END