HMDB0258835 RDKit 3D Teroxirone 36 39 0 0 0 0 0 0 0 0999 V2000 2.0130 0.5927 -1.7959 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 0.2327 -1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 1.2016 -0.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 2.6059 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 3.1194 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 4.5690 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 3.5350 -0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 0.8440 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 1.7540 0.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1265 -0.4477 0.3788 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -0.8063 1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5024 -0.9614 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7972 -1.3293 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4925 -0.0089 0.4904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 -1.3947 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6433 -2.5732 0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 -1.0718 -0.8922 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 -2.0382 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 -2.2400 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5653 -2.7487 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2553 -3.4933 -0.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 3.1430 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 2.8036 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 2.6424 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8262 5.0990 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 5.1055 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4037 -0.0289 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0638 -1.7631 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 -1.2461 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5283 -1.8999 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8081 -1.4978 2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 -3.0017 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 -1.6538 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -1.5169 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 -2.2673 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 -3.2591 1.1352 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 3 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 1 0 10 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 17 2 1 0 21 19 1 0 7 5 1 0 14 12 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 18 32 1 0 18 33 1 0 19 34 1 0 20 35 1 0 20 36 1 0 M END