HMDB0294855 RDKit 3D DG(13:0/0:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 104103 0 0 0 0 0 0 0 0999 V2000 11.8743 4.3387 -1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3673 3.3702 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 1.9544 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9139 1.4867 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9895 1.5812 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 1.0982 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6198 -0.3532 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1654 -1.2548 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3866 -1.2516 1.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9568 -1.7167 1.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2371 -1.6871 3.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -2.1612 2.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 -1.2843 1.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 -0.3349 2.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 -1.5238 0.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 -0.7357 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0237 -0.8325 -0.1388 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5076 -0.0138 -1.1623 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 -2.2519 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -2.4928 -0.5906 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 -2.3303 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4013 -1.8930 1.4515 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 -2.6344 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 -2.8820 -1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 -1.6641 -2.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2013 -1.9872 -3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0572 -1.3322 -4.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9327 -0.2181 -3.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3313 -0.5818 -4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2064 -0.6600 -3.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8667 -0.3853 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1247 -1.5549 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 -1.5891 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7145 -0.4201 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5636 -0.4662 1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3262 0.7393 1.8396 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5951 0.8272 3.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6274 0.8419 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3340 2.1135 1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6590 2.2560 0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3806 3.5184 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6669 3.5187 2.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 4.7181 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9384 3.8523 -2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5256 5.2284 -1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4508 3.5945 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8687 3.5224 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 1.8974 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7964 1.2694 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9983 0.4619 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5147 2.1366 -1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9097 2.6517 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4359 1.0440 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9734 1.1707 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1913 1.6944 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2007 -0.5000 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5825 -0.6486 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2398 -1.1020 0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0943 -2.3047 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 -0.2737 2.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8820 -1.9699 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9049 -2.7503 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4385 -1.0685 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8178 -2.3507 3.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2581 -0.6194 3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8112 -3.2200 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3644 -2.0938 3.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7677 -1.1515 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 0.3330 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 -0.5262 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -0.4941 -1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 -2.9572 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -2.5083 -1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4657 -3.5186 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7621 -1.7411 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 -3.6947 -1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3637 -3.2114 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 -1.4706 -2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -0.7532 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 -2.8009 -4.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 -1.6212 -5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 0.5929 -4.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6511 0.2894 -3.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6917 -0.8091 -5.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2614 -0.9345 -3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5289 0.4443 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8408 0.0049 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5771 -2.4773 -1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 -2.5203 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6719 0.5285 -0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6887 -1.3543 2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7035 1.6159 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 1.7869 3.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2696 -0.0010 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5110 0.9078 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4910 2.1756 2.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7398 3.0277 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4932 2.3016 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3025 1.3767 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3187 3.6582 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7380 4.4064 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0665 4.3165 3.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4249 2.5211 3.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7526 3.7147 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 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 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 16 68 1 0 16 69 1 0 17 70 1 1 18 71 1 0 19 72 1 0 19 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 34 90 1 0 35 91 1 0 36 92 1 6 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 42104 1 0 M END