HMDB0037505 RDKit 3D Trilobatin 55 57 0 0 0 0 0 0 0 0999 V2000 3.6482 0.7100 -2.1281 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 -0.3581 -1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.6232 -1.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 -1.9018 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 -0.8561 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0817 0.2589 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9988 1.2395 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3035 1.1182 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2718 2.0721 0.8261 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6638 0.0137 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 -0.9778 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -0.1890 -1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 1.0536 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 2.1413 -1.8763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 1.2362 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 0.1822 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3831 0.3904 -0.2584 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -0.5150 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4126 -0.6714 -0.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 0.4698 -0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5738 0.0046 -1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4381 1.0542 -1.4019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 1.2618 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4766 1.9674 0.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2315 0.2634 1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5891 0.8032 2.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7721 -0.2117 1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 -1.2876 2.4766 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 -1.0572 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -1.2169 -0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3678 -2.4833 -0.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 -2.5040 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 -1.5117 -2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -2.0179 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 -2.8597 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 0.3820 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6912 2.1034 1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0952 2.9149 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7039 -0.0925 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0964 -1.8490 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 3.0644 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 2.2146 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 -1.5170 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7447 1.0663 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4853 -0.5504 -2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0072 -0.6758 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1829 1.1055 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4572 1.9723 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 2.8331 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8459 -0.6164 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 0.3227 3.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 0.6682 1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -2.1158 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 -1.9530 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8511 -3.2756 -0.5013 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 16 29 1 0 29 30 2 0 30 31 1 0 11 5 1 0 30 12 1 0 27 18 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 6 36 1 0 7 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 14 41 1 0 15 42 1 0 18 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 31 55 1 0 M END