HMDB0007024 RDKit 3D DG(14:0/20:3(8Z,11Z,14Z)/0:0) 108107 0 0 0 0 0 0 0 0999 V2000 13.8616 3.1809 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2906 2.7163 1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7918 2.6186 1.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2153 2.1742 3.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7144 2.0863 2.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9422 1.6992 4.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 0.6382 4.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9811 -0.3631 3.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5728 -0.4169 2.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1836 -0.2126 1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 0.0793 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 -0.8043 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -1.9421 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5743 -2.6478 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 -2.9152 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 -1.7784 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -0.9413 -2.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -1.7745 -3.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 -2.3951 -3.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 -1.4103 -4.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -0.3585 -4.6589 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 -1.5688 -3.6935 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -0.6490 -4.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7895 -1.2985 -4.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -2.4889 -4.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 0.2381 -3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 -0.1753 -1.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0944 -0.8559 -1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 -1.2343 -2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4838 -1.1706 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4205 -2.3021 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7264 -2.2461 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6384 -1.1135 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9323 -1.2118 -1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9613 -0.1757 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3827 -0.2713 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4153 0.8192 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6250 0.6295 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7754 1.5354 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6536 1.8235 1.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2959 2.4707 2.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3876 1.8178 3.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1112 3.8411 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0838 2.3062 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8234 3.7122 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6681 3.3184 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6899 1.6719 2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3726 3.6174 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5485 1.8757 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6754 1.2501 3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3748 2.9548 3.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 1.5170 2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4151 3.1545 2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9766 2.3416 5.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6409 0.4490 5.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7261 -0.3375 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1756 -1.3651 3.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 -0.6297 3.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0769 -0.2243 1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 1.1077 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0823 0.2950 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7133 -0.4568 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 -2.4428 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0393 -3.7334 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5283 -2.3438 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1722 -3.7571 -1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 -3.4080 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -2.1090 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 -1.0604 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 -0.1849 -2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6473 -0.3883 -1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 -2.4899 -3.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 -1.0725 -4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -3.0693 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -3.0409 -4.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 0.1207 -4.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -1.5130 -5.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 -0.6292 -5.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 -2.8358 -3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 1.0527 -3.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 0.9075 -2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 -1.4267 0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 -0.2574 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6307 -2.5956 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8787 -3.2158 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7109 -2.2356 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 -3.2220 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8936 -1.2924 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1189 -0.1568 -0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6809 -1.0349 -2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3629 -2.2263 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8048 -0.3395 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5557 0.8455 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8935 -1.2152 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4869 -0.1290 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8814 1.7875 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5032 0.7277 2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3238 0.4658 -0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0543 -0.4092 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4007 2.5684 -0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4215 1.2586 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5360 2.4585 1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3050 0.8772 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2433 2.8604 3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7995 3.4788 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3628 2.2613 3.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7905 2.0529 4.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3938 0.7121 3.6470 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 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 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 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 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 23 76 1 6 24 77 1 0 24 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 42108 1 0 M END