HMDB0071942 RDKit 3D TG(10:0/a-17:0/i-18:0)[rac] 146145 0 0 0 0 0 0 0 0999 V2000 4.6468 -5.5043 -3.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 -6.8493 -3.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 -6.8580 -2.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 -5.7809 -3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -6.0585 -4.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -5.2194 -5.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9475 -4.9917 -5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -4.3851 -3.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 -4.1272 -3.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 -3.1540 -4.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -3.4497 -5.8185 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6724 -1.8673 -4.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1724 -0.8440 -5.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2383 -0.3967 -6.1591 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9329 0.8652 -6.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 1.7306 -5.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 2.4299 -4.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3456 2.3580 -4.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 3.3080 -3.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1641 3.9446 -2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8069 4.8110 -1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 5.4185 -0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 6.2924 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0719 5.5469 1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 4.4043 1.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 3.7294 2.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5784 2.5665 3.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 1.5287 2.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 0.3148 2.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0939 -0.6746 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 -0.3161 5.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1067 -1.5636 5.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2139 -2.2013 5.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3734 -1.2466 5.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6962 -3.4010 6.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 0.0019 -5.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 -0.4573 -5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 -1.3180 -6.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 0.0193 -5.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 -1.0152 -4.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -0.7657 -3.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 0.4678 -2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 0.4613 -1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7786 1.7001 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 1.7912 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 3.0216 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 3.2108 1.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 2.0327 2.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5419 2.1144 3.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 3.3193 4.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6733 3.3510 5.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 4.5365 6.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9826 3.2354 4.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2795 4.3037 3.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6069 -5.5920 -3.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -4.7214 -3.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -5.2065 -2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 -7.2420 -4.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6515 -7.5563 -2.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9169 -6.7104 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 -7.8473 -2.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -4.8138 -3.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -5.9085 -2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -7.1606 -4.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 -6.1001 -5.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 -5.5917 -6.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -4.1764 -5.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 -5.8722 -5.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 -4.2419 -5.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 -5.1934 -2.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -3.5408 -3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 -5.1101 -3.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0593 -3.8784 -2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 0.0657 -4.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1842 -1.0386 -5.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -1.1376 -6.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 1.3279 -7.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7433 0.5979 -7.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 4.1185 -4.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 2.7851 -3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 4.6307 -3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 3.2250 -2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 4.2669 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 5.6064 -2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 4.6696 -0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 6.0802 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 7.1834 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 6.6383 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0282 5.1926 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3186 6.2567 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 3.7566 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 4.8255 2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1647 3.3888 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 4.4728 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7085 3.0270 4.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2726 2.2274 4.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 1.9983 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 1.1636 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 -0.2328 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4372 0.6297 3.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8967 -1.2244 3.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3568 -1.5378 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 0.2390 5.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 0.3017 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5138 -1.1749 6.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 -2.2026 6.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9453 -2.6068 4.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4332 -0.5196 5.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2913 -0.7080 4.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3106 -1.8619 5.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9053 -3.0569 7.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8891 -4.1592 6.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -3.8567 5.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2269 0.0674 -5.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 1.0186 -4.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 -1.1101 -3.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -1.9803 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 -0.8632 -3.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.6353 -2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8864 0.4072 -1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 1.3966 -3.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 -0.4467 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.5021 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6197 2.5703 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 1.5955 0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 0.8612 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 1.9576 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 2.9739 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 3.9465 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 3.3904 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 4.1197 2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 1.9069 3.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5055 1.1144 2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 2.1026 3.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 1.2151 4.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3623 4.2674 4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5743 3.2206 5.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 2.4334 6.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 5.4104 6.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 4.2186 7.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 4.7908 6.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7726 3.2308 5.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 2.2510 4.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 4.0024 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 5.2992 4.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 4.4255 3.8941 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 16 17 1 0 17 18 2 0 17 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 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 14 36 1 0 36 37 1 0 37 38 2 0 37 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 13 74 1 0 13 75 1 0 14 76 1 6 15 77 1 0 15 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 24 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 34108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 35113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 52139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 54146 1 0 M END