HMDB0036647 RDKit 3D Isocurcumenol 39 41 0 0 0 0 0 0 0 0999 V2000 -0.4146 2.8785 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 1.9751 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 1.8966 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 0.4317 -1.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 0.3790 -2.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 -0.2167 -1.6721 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -0.3423 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 -0.7222 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -0.2676 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 -0.4236 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9213 -1.1689 1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6378 0.0726 -0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2567 -1.1754 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 -2.6458 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 -0.6692 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 0.7278 1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 1.0318 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 3.5634 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 2.9900 1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 2.3736 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 2.3072 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 1.0767 -3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 -1.8028 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0409 -0.1851 1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6202 -2.2333 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 -0.7691 2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 -1.1129 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8803 -0.6466 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 0.2213 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 1.0366 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9202 -1.0233 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 -3.0372 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -2.8996 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 -3.1652 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -0.6360 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5015 -1.3071 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6747 0.8106 2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 1.4284 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3728 1.2492 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 10 12 1 0 7 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 9 4 1 0 17 7 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 M END