HMDB0002269 RDKit 3D Curcumin 47 48 0 0 0 0 0 0 0 0999 V2000 -5.8042 -0.3397 -2.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2382 -1.1425 -1.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5374 -1.1585 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4024 -0.4017 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -0.4233 0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 0.3963 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7747 0.4592 2.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.3163 2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 1.3611 3.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 2.1465 1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0418 2.9094 1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9004 4.0059 2.0605 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 2.5143 1.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 1.4010 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 0.9593 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 1.6553 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 1.1401 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 -0.0410 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7115 -0.5268 -1.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 -0.7577 -1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 -1.9466 -1.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 -2.7007 -2.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1142 -0.2355 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 -1.2381 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3477 -2.0089 1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0293 -1.9808 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 -2.7345 0.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5114 0.6652 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9744 -0.8230 -3.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6579 -0.2391 -3.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0129 0.2458 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1829 1.0171 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -0.1350 3.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 1.5399 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 2.8690 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2477 3.1442 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 0.8031 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1095 2.5783 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2703 1.7271 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5391 0.0069 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7006 -2.8022 -1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.0685 -2.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5095 -3.6844 -2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2216 -0.8252 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 -1.2945 2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 -2.6283 2.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6732 -2.7250 -0.4660 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 1 0 21 22 1 0 20 23 2 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 23 15 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 7 33 1 0 10 34 1 0 10 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 19 40 1 0 22 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 27 47 1 0 M END