HMDB0034561 RDKit 3D Houttuynin 42 41 0 0 0 0 0 0 0 0999 V2000 -3.7699 2.2314 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9313 1.1406 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 1.1870 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.1362 1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -1.2539 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 -1.6843 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 -1.6522 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6492 -2.1111 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 -2.1294 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 -0.7994 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 0.2239 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 1.5273 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 2.2801 0.7417 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4557 1.9827 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 0.9840 -1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0099 0.9538 -2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 2.3992 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2436 3.1440 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2878 1.8885 -2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8705 1.3005 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 0.1631 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7633 2.1889 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 1.1458 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 0.3007 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 0.3186 2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -1.9986 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -1.3343 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 -1.1720 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9134 -2.7657 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 -0.6158 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 -2.3071 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5591 -1.5003 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 -3.1573 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2065 -2.8800 1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -2.4336 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0162 -0.4211 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6065 -0.9257 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 0.3987 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2677 -0.1442 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 2.1847 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 2.9194 -0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 0.2869 -0.6150 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 M END