HMDB0039588 RDKit 3D Panaxynol 42 41 0 0 0 0 0 0 0 0999 V2000 7.1959 -1.0417 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6043 -2.2187 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3294 -2.3469 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -3.3248 0.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -1.0733 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -0.0418 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 1.1762 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 2.2273 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 3.5061 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 3.2730 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 2.0642 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5037 1.8946 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 1.2711 -1.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 1.1003 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9483 0.2197 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 -1.1758 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 -2.0335 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4187 -2.1317 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7975 -0.1409 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1463 -0.8965 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 -3.0883 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4774 -2.5662 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 -3.9622 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 3.9742 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 4.2166 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 4.1059 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6268 1.2118 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 2.8633 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 1.2124 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 1.9080 -2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 0.2614 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 0.6957 -2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 2.1161 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 0.1068 -0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7621 0.6167 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 -1.1730 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 -1.6919 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6766 -1.5752 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 -3.0541 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8369 -2.9823 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8758 -1.1838 1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 -2.3189 -0.3670 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 3 5 1 0 5 6 3 0 6 7 1 0 7 8 3 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 4 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 M END