HMDB0250946 RDKit 3D Dehydrocostus lactone 35 37 0 0 0 0 0 0 0 0999 V2000 3.9899 -0.2680 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -0.7460 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4987 -1.9481 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 -2.7301 0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -2.0721 0.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 -0.7688 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 -0.2471 -0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 1.2045 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 2.0045 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 1.8134 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 2.7747 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 0.6209 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 0.5337 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 -0.9676 1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 -1.6200 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5905 -2.9188 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 -0.5770 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8733 -0.7312 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 0.6326 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -0.2136 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1893 -0.8117 -1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 1.3818 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 1.6948 -1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0221 3.0889 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 1.7830 0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 2.7151 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 3.6447 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 0.5307 1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0198 0.7511 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 1.1320 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8702 -1.3263 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8102 -1.0401 2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3456 -3.6443 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 -3.3865 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0278 -0.2892 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 15 17 1 0 7 2 1 0 17 12 1 0 17 6 1 0 1 18 1 0 1 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 16 33 1 0 16 34 1 0 17 35 1 0 M END