HMDB0034135 RDKit 3D Isoeugenol acetate 29 29 0 0 0 0 0 0 0 0999 V2000 -4.2459 1.1349 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0818 -0.0825 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -0.6088 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -0.1755 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 1.0289 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 1.3034 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 0.3804 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 0.6732 -1.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 1.2356 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 1.5565 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9244 1.4744 0.9562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 -0.8605 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -1.7565 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 -3.0503 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5585 -1.1168 0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0754 2.0650 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 1.0978 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3713 1.1175 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9734 -0.5800 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9227 -1.5442 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 1.8512 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 2.2716 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 0.7941 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 2.5743 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 1.5301 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 -3.3320 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -3.7401 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1028 -3.1632 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -2.0785 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 7 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 15 29 1 0 M END