HMDB0297241 RDKit 3D DG(8:0/0:0/18:3(10,12,15)-OH(9)) 85 84 0 0 0 0 0 0 0 0999 V2000 -10.3779 2.5016 -1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2749 3.3764 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2755 2.5431 1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3579 1.2342 1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3605 0.3723 2.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2178 -0.5564 2.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3743 -0.5344 1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2546 -1.4565 1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4112 -1.4301 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2648 -2.3556 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6518 -3.5857 -0.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6755 -2.5472 1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 -1.2837 2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 -0.5672 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -1.4345 1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -0.7221 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 -0.2858 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 0.4132 -1.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 -0.5285 -1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -1.3691 -2.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 -0.4903 -0.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -1.3479 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -1.0045 0.6957 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3291 -1.1702 1.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5741 0.3890 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 0.5109 -0.6614 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 -0.1906 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 -1.0197 -0.2531 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0153 0.0496 -2.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 -0.7968 -2.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3363 -0.5938 -1.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8778 0.8177 -1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9969 0.8166 -0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6476 2.1671 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6940 3.2478 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3205 1.9019 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5405 1.7964 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4328 3.1206 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2794 3.9043 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0861 4.1360 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2060 3.0406 2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4291 0.7134 0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3269 1.0477 3.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3353 -0.1735 2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1137 -1.2418 3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4979 0.1531 0.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1161 -2.1455 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5699 -0.7029 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5295 -1.9364 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7363 -3.5250 -1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 -3.2944 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3856 -3.0382 2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0425 -0.6176 2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -1.5637 3.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 -0.0986 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7959 0.2948 2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 -1.7657 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 -2.3646 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 -1.3917 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 0.1861 1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0938 0.3678 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 -1.1846 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 0.7949 -2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 1.2793 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 -2.3985 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 -1.2065 -1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 -1.7111 0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6515 -0.4815 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7168 1.0972 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 0.6660 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1846 1.1296 -2.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2491 -0.2680 -3.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5585 -0.7779 -3.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 -1.8663 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1946 -1.2267 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1633 -0.9353 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0608 1.4836 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3385 1.1136 -2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 0.1153 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6352 0.4433 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4295 2.0617 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1921 2.4341 -1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6656 4.0061 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7017 2.8369 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1039 3.8079 0.8747 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 22 65 1 0 22 66 1 0 23 67 1 1 24 68 1 0 25 69 1 0 25 70 1 0 29 71 1 0 29 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 35 85 1 0 M END