HMDB0031622 RDKit 3D 6-Phenyl-3-hexen-2-one 27 27 0 0 0 0 0 0 0 0999 V2000 -4.7768 0.2279 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 -0.0070 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4791 -0.0079 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 -0.2399 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8546 -0.2545 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3889 -0.4950 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 0.6702 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 0.3665 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 0.7418 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 0.4629 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5138 -0.1777 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 -0.5422 1.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 -0.2706 1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7587 1.2971 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8303 -0.0444 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -0.3620 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8927 -0.4112 -2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3831 -0.0939 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 -0.7836 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2444 -1.3877 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.8130 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 1.5953 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 1.2448 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 0.7508 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5724 -0.4052 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 -1.0470 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 -0.5714 2.4306 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END