HMDB0034124 RDKit 3D Fonsecin 35 37 0 0 0 0 0 0 0 0999 V2000 -4.4193 -1.9821 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 -1.6500 -0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 -0.3231 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6821 0.6385 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 1.9791 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2293 2.9992 0.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 2.3013 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 1.3072 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 1.6274 0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 0.6637 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9276 -0.6569 0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -1.0179 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 -2.3230 0.1608 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 -0.0272 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -1.6399 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 -2.8020 0.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4012 -1.2451 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 0.1283 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8201 0.7631 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 0.0416 2.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 0.9895 0.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8103 -1.3891 -1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5689 -3.0680 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9613 -1.6264 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7405 0.4167 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9629 3.9604 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 3.3198 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 2.6674 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3348 -3.1737 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1152 -2.0015 0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5246 -1.2096 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8839 0.2723 -1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 1.8503 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7946 0.7030 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 -0.4934 2.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 11 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 14 3 1 0 14 8 1 0 21 10 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 13 29 1 0 17 30 1 0 17 31 1 0 19 32 1 0 19 33 1 0 19 34 1 0 20 35 1 0 M END