HMDB0031567 RDKit 3D 3-Methyl-4-phenyl-3-buten-2-one 24 24 0 0 0 0 0 0 0 0999 V2000 2.8333 1.2899 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 0.7482 0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 1.4075 0.9336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 -0.4189 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 -1.0800 -0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 -0.9849 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0476 -0.4658 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 0.7869 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 1.2344 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 0.3722 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1104 -0.8765 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -1.2748 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 0.6879 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4355 1.1174 -0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 2.3656 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 -2.1154 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3155 -1.0561 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -0.4544 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -1.9126 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 1.4725 -1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 2.2167 -0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5283 0.7265 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7541 -1.5171 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 -2.2693 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END