HMDB0299496 RDKit 3D DG(i-17:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0) 117116 0 0 0 0 0 0 0 0999 V2000 -16.3531 0.9011 3.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3115 0.5757 1.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5237 -0.6305 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4413 -0.6434 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9104 0.5694 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5360 0.7976 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4510 0.8374 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5461 0.6383 -1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0511 1.8867 -2.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0728 2.0636 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1998 1.0599 -3.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3191 -0.3497 -3.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4362 -1.1113 -2.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -0.6837 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1984 -1.0451 -0.9062 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3387 -2.4120 -0.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9189 -0.6224 -0.2209 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8410 0.7840 -0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7518 -1.2349 -0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 -0.9185 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 0.5325 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 0.7412 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5444 1.9236 0.8312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 -0.2312 0.5894 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 0.0919 1.2139 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5470 -0.7146 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5577 -2.0878 2.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 -0.0030 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7271 0.3710 0.6716 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -0.1089 1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -1.2099 2.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 0.6831 1.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9348 1.9548 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 1.9273 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0659 1.3471 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3960 1.9505 -1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 2.0307 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6407 0.6951 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 1.0091 1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 -0.1837 2.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8847 -1.0147 1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0648 -0.1839 1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9393 -1.0709 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1518 -0.3264 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 -1.3029 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3642 -2.4352 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0939 -0.6402 -1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1922 1.5909 3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4028 1.4295 3.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4452 -0.0226 3.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1065 1.4629 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3895 0.3020 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8388 -1.6002 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8685 -1.5645 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4935 1.4911 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9637 0.4600 -1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4041 0.9494 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4886 1.0124 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0399 -0.2861 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5901 0.5163 -2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6226 2.8098 -2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8740 3.1403 -3.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1206 1.3501 -3.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0955 1.2707 -4.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2057 -0.8760 -3.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6593 -2.1860 -2.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3619 -1.3572 -2.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8444 0.3341 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0627 -0.5191 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0546 -2.8750 -1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9789 -0.9393 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 1.0665 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6504 -0.8990 -1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8285 -2.3491 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 -1.4058 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6639 -1.4780 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 1.0230 0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 1.0516 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3195 1.1761 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.3240 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4573 -0.5557 3.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3224 -2.5192 2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 -1.0535 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 0.6704 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 0.0554 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 0.9833 2.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0059 2.5367 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.5846 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 1.5128 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 3.0394 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1817 0.2399 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 1.3732 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2986 3.0043 -1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 1.4155 -1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9315 2.7755 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2308 2.4612 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3004 0.1518 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7843 0.0374 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2203 1.7535 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7046 1.5209 2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1709 -0.8241 3.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5509 0.2034 3.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2927 -1.8101 2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3775 -1.5204 0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7485 0.7402 0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6823 0.1605 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3902 -1.5140 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2658 -1.9085 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7289 0.1645 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7711 0.4454 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2509 -1.7316 -1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5054 -3.1327 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5533 -2.0252 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2304 -2.9840 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7687 0.3559 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0296 -0.5833 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3493 -1.2255 -2.5396 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 25 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 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 1 16 70 1 0 17 71 1 1 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 25 79 1 1 26 80 1 0 26 81 1 0 27 82 1 0 28 83 1 0 28 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 M END