HMDB0255033 RDKit 3D N-[2-(3,4-Dihydroxyphenyl)ethyl]octanamide 45 45 0 0 0 0 0 0 0 0999 V2000 5.1038 2.1650 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 1.1540 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2826 0.4771 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 -0.2475 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 -0.9194 -1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 -1.6561 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0501 -0.8268 -0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 -1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 -2.9194 -0.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 -1.1307 0.6166 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 -1.9688 0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5334 -1.2467 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1303 -0.1678 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6791 1.1217 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 2.1115 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2753 1.8008 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8535 2.8004 -1.4977 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7292 0.5087 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7518 0.2158 -1.8069 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1367 -0.4589 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7537 2.8453 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 2.7797 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 1.6926 1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 0.3500 1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9201 1.6409 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 1.1939 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9325 -0.2894 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3551 -0.9323 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 0.5488 0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 -0.2116 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 -1.6774 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 -2.0951 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 -2.5086 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -0.0237 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -0.3264 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 -0.1314 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7159 -2.4549 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 -2.7283 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 -0.8679 2.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -2.0152 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 1.4103 1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 3.1304 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5548 3.7575 -1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0658 -0.7346 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4781 -1.4799 -0.2284 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 2 0 20 13 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 19 44 1 0 20 45 1 0 M END