HMDB0040425 RDKit 3D Propyl phenylacetate 27 27 0 0 0 0 0 0 0 0999 V2000 -3.6668 0.7570 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1193 -0.5415 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 -1.4736 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 -0.9433 0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5622 -0.5836 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 -0.7451 -0.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -0.0288 1.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7261 0.2651 0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0172 1.4839 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 1.6944 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 0.7149 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 -0.4995 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 -0.7126 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0348 0.5722 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 1.0949 -1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 1.4888 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 -1.0281 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 -0.3837 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4919 -2.4402 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7377 -1.6145 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.8122 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 0.8703 1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 2.2388 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 2.6712 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 0.8948 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 -1.2622 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 -1.6775 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 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 2 17 1 0 2 18 1 0 3 19 1 0 3 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