HMDB0007827 RDKit 3D DG(24:1(15Z)/18:1(9Z)/0:0) 134133 0 0 0 0 0 0 0 0999 V2000 11.6315 6.0410 -0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9875 5.4029 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9110 4.0297 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2884 3.4375 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4000 2.0834 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4310 1.1291 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5817 -0.2349 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 -0.3733 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 -0.3168 2.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7059 -0.2762 1.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3584 -0.2817 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 -1.5081 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2345 -1.4779 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4056 -2.7252 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0492 -2.7796 -1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 -3.9916 -1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0381 -4.3798 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -3.5634 -0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 -2.2328 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 -1.5380 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -0.2295 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3087 0.5870 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0743 0.1034 0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -1.1812 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 -2.2067 1.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 -1.3363 -1.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 -2.5316 -1.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 -3.2099 -0.9921 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6393 -4.5641 -1.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -5.2940 -1.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 -2.5664 -0.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3679 -2.4844 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 -2.9885 1.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7287 -1.8194 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3706 -1.9430 1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7314 -1.4388 1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8675 -2.0710 1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9417 -2.0809 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9616 -0.8109 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1082 0.1122 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3278 0.6405 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4185 0.4561 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5712 -0.2930 0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8493 0.4537 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9489 1.5865 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0486 2.7703 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4596 3.7589 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6485 4.9983 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7492 5.8105 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1323 6.2935 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 5.4176 -1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4095 6.0384 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7001 7.0537 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2096 5.1582 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7984 5.9505 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6850 4.1590 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1331 3.4298 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5018 3.3452 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0676 4.0980 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4075 1.6579 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1158 2.1339 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5829 1.1234 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4354 1.5653 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7247 -0.4449 0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1830 -1.0638 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8033 0.4249 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7493 -1.3174 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8095 -0.2998 3.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 -0.2228 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0997 -0.2322 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6538 0.5940 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0463 -2.4439 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2527 -1.3953 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6424 -0.5698 0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4664 -1.6006 1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9674 -3.5899 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 -2.5799 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0744 -2.9011 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6568 -1.8764 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1744 -3.9171 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9918 -4.9234 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -4.7118 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7785 -5.4102 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -4.1121 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -3.4850 -2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 -2.3601 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -1.5359 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 -2.2180 -0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -1.3167 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 -0.3622 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4369 0.3815 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 1.5932 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 0.8341 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7804 0.8339 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 0.0716 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -2.2800 -2.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -3.2832 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 -3.5646 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4365 -5.1043 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 -4.3732 -2.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -5.5454 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2979 -2.1155 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 -0.7284 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 -1.3960 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2405 -3.0154 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7066 -0.3220 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9557 -1.5577 2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8593 -1.7735 1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8379 -3.1867 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0208 -2.5205 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3489 -2.8817 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9395 -1.0909 -2.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0211 -0.2094 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0032 -0.3116 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9070 1.0583 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5198 1.2376 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4755 0.9139 2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7198 -1.1577 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4774 -0.7806 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1298 0.7602 1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6392 -0.3551 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9255 1.2283 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0487 1.9315 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0133 2.5327 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2246 3.2297 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2106 3.1962 -2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5408 3.9080 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8851 5.5850 -2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5706 4.7011 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3679 5.2518 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0591 6.6955 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8437 6.1650 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0855 7.3863 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5043 5.8325 1.2020 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 2 0 10 11 1 0 11 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 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 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 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 1 29 99 1 0 29100 1 0 30101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 M END