HMDB0294525 RDKit 3D DG(10:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0) 93 92 0 0 0 0 0 0 0 0999 V2000 -12.3956 -0.4075 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3601 -1.2587 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1844 -0.4258 1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1988 -1.3333 1.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9890 -0.5856 2.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2375 0.1057 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7239 -0.7975 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7729 -1.8528 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5079 -1.3561 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7936 -0.4755 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 0.7558 0.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9749 -1.0101 -0.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 -0.4102 -1.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.3280 -1.3051 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1367 1.3917 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 2.5360 -0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3774 0.8355 -2.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 0.3515 -2.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -0.5794 -2.2781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.9268 -4.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 0.3939 -4.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 0.8508 -3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8997 2.3036 -3.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 3.2007 -2.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 3.1324 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 1.8910 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 1.4073 0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 2.1141 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 2.4343 2.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6727 1.9894 3.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8447 1.1168 3.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -0.1272 3.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5170 -1.2902 3.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 -1.4977 2.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6405 -2.7172 1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8353 -2.9461 0.0050 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2689 -4.2563 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 -1.9545 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1727 -2.0403 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9377 -0.0094 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2662 -1.0552 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6802 0.3987 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9622 -2.0689 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8004 -1.7381 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4841 0.4273 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7012 -0.0120 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7290 -1.7223 2.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9741 -2.1943 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 0.2243 2.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3818 -1.2506 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3349 0.5774 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8294 0.9318 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 -1.3059 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2125 -0.1407 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -2.4402 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2855 -2.5955 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -2.2277 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6327 -0.8595 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9576 0.3065 -2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -1.1154 -2.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 -0.4627 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 1.8001 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 1.0163 0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 3.3568 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8475 0.6603 -5.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 2.0452 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 0.6666 -5.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 -0.7326 -4.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 0.4164 -3.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 0.4388 -2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1734 2.6808 -4.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 4.2786 -2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 3.7494 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 3.8296 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 1.2937 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 0.4468 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9197 1.3780 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3863 2.9744 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 3.0989 2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 2.2707 4.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7273 1.6458 3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 0.9872 2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 -0.0141 5.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3077 -2.1840 4.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -0.7050 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4331 -3.5383 2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8784 -2.8146 -0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 -4.4146 -1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9433 -2.2215 -1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 -0.9241 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 -1.0926 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2102 -2.8475 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9715 -2.2391 -0.6787 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 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 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 13 59 1 0 13 60 1 0 14 61 1 1 15 62 1 0 15 63 1 0 16 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 33 84 1 0 34 85 1 0 35 86 1 0 36 87 1 6 37 88 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 39 93 1 0 M END