HMDB0243640 RDKit 3D (E)-3-(2,3-Dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one 40 41 0 0 0 0 0 0 0 0999 V2000 7.6067 0.0489 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8376 -1.0260 0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4405 -0.9871 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 -2.0136 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 -1.9490 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 -0.8740 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -0.8639 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 -1.9102 0.6073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 0.2092 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 0.5050 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -0.1085 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 -1.4227 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6539 -1.9191 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7095 -1.0396 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 0.2913 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5732 1.2000 -0.3032 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8674 0.6885 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2415 0.7228 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 2.0551 -0.7765 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8398 2.9962 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 0.1413 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8247 0.0866 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 0.0010 0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5261 0.0411 -1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2066 1.0326 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 -2.8666 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6957 -2.7739 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 1.0550 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 1.5357 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5726 -2.1350 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 -2.9813 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 -1.4037 0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6166 1.4904 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9868 0.3000 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0302 -0.1814 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9198 2.7455 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 3.9845 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 3.0472 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 1.0211 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3611 0.9378 -0.6112 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 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 3 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 2 0 18 19 1 0 19 20 1 0 6 21 1 0 21 22 2 0 22 3 1 0 18 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 9 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 17 33 1 0 17 34 1 0 17 35 1 0 20 36 1 0 20 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M END