HMDB0036427 RDKit 3D Procurcumenol 39 40 0 0 0 0 0 0 0 0999 V2000 -1.2848 3.4226 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 2.1623 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 2.3262 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 1.2455 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 1.5427 -1.0705 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -0.0858 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 -0.6966 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -0.1497 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -2.0733 0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -0.8095 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 -0.3123 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 0.9555 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5271 1.0288 -0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -0.3815 -0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8013 -1.2443 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 -2.1961 0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6478 -1.9595 -1.6904 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 3.5862 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 3.3169 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 4.2404 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 3.3251 -0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4201 -0.1299 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 -0.8472 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 0.8550 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -2.8076 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -1.9823 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -2.4280 1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2608 -0.5120 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 -1.8973 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -0.0770 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 0.8507 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 1.7467 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 1.2888 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 -0.6201 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7173 -0.4805 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -2.8054 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -1.6641 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1985 -2.8902 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 -2.8432 -1.5627 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 4 6 1 0 6 7 2 3 7 8 1 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 12 2 1 0 15 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 M END