HMDB0030185 RDKit 3D (E)-Piperolein A 48 50 0 0 0 0 0 0 0 0999 V2000 -2.1872 2.2473 -0.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 1.1489 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 0.6998 -2.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 1.5354 -2.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 1.3967 -1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6363 -0.0476 -1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -0.1008 -0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 -0.5156 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 -0.5914 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 -1.0435 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4801 -1.1211 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4524 -0.7629 1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2573 -0.3133 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 -0.2323 1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 -0.0192 3.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6467 -0.7153 3.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3909 -0.7350 2.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 0.3892 -0.0237 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 0.8977 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3513 0.5692 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1266 0.0556 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 -1.1149 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9782 -0.8629 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 0.8243 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8783 -0.3859 -2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2087 2.6178 -2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 1.2554 -3.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.7688 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 1.9876 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 -0.3886 -2.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 -0.7393 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 0.2035 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 -0.8235 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 -1.3273 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 -1.4775 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2133 0.1306 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 -0.1628 4.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 -1.7445 4.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 1.9824 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 0.4112 2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8521 1.4973 1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4143 -0.1523 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0966 -0.3348 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3704 0.8413 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -1.3184 -1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5636 -2.0228 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 -0.9333 -1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3645 -1.6742 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 2 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 14 9 1 0 23 18 1 0 17 12 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 M END