HMDB0041553 RDKit 3D Methylisoeugenol 27 27 0 0 0 0 0 0 0 0999 V2000 3.5918 -1.2701 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 0.0613 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 0.6460 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 0.1440 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 -1.0891 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6988 -1.4146 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 -0.4256 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9864 -0.6934 -0.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4942 -1.9508 -0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 0.8570 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 1.8548 0.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 3.1663 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 1.1185 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 -2.0756 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -1.3766 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -1.3589 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.5986 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 1.6694 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 -1.9136 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 -2.4282 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4212 -2.1141 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9974 -2.7836 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5765 -1.9589 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 3.8938 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 3.5044 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3666 3.1885 1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 2.1502 0.7573 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 7 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 4 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 5 19 1 0 6 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 12 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 M END