HMDB0033801 RDKit 3D Demethoxycurcumin 43 44 0 0 0 0 0 0 0 0999 V2000 -6.4414 0.3018 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8632 0.3625 0.7505 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9709 0.3940 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 0.3297 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 0.3569 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2505 0.2470 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6949 0.0909 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 -0.0221 0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -0.1773 1.7659 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 0.0358 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 -1.1731 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -2.2717 -0.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 -1.2023 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 -0.1328 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 -0.2338 0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7243 0.9276 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0541 0.9056 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7017 -0.3198 1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0436 -0.3454 1.4972 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 -1.4847 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6889 -1.4304 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1817 0.4541 -2.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5218 0.5218 -2.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4268 0.4908 -1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7795 0.5517 -1.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 -0.7056 2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6789 1.1000 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3329 0.5980 2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 0.2569 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 0.3086 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 0.0388 1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.0647 -1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 0.9803 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -2.1698 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 0.8601 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2085 1.8894 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5834 1.8118 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6867 -0.2185 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -2.4006 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 -2.3811 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4967 0.4801 -3.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8689 0.5984 -3.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1454 0.6208 -2.7577 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 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 5 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 3 1 0 21 15 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 10 32 1 0 10 33 1 0 13 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 25 43 1 0 M END