HMDB0030725 RDKit 3D Dillapiol 30 31 0 0 0 0 0 0 0 0999 V2000 4.2920 0.1197 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -0.5378 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.5209 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8211 0.0375 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 1.3802 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 1.9998 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 1.2779 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 -0.0376 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -0.7837 -1.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3137 -1.5555 -0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 -0.6482 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -1.9583 -0.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 -2.2877 -1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6318 2.1186 -0.1946 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 3.2275 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 3.2801 0.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 0.1216 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5283 0.6915 0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9669 -1.0760 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -1.5766 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 0.0508 1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 1.9254 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1634 -1.7593 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 -2.5345 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 -1.0732 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 -2.7505 -2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 -1.3715 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4533 -2.9476 -1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 3.0241 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8799 4.1645 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 2 0 11 12 1 0 12 13 1 0 7 14 1 0 14 15 1 0 15 16 1 0 11 4 1 0 16 6 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 15 29 1 0 15 30 1 0 M END