HMDB0031928 RDKit 3D Panaxytriol 46 45 0 0 0 0 0 0 0 0999 V2000 6.0989 -0.6749 2.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4288 0.5607 1.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 0.9133 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 0.2989 -0.0397 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 0.4827 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4529 0.1422 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 -0.2289 -1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -0.5251 -2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0989 -0.8605 -2.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 -1.6078 -2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 -1.9162 -2.8836 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -0.7753 -0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -0.4396 -0.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 0.4431 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 1.2224 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3656 0.3935 0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6199 -0.0789 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4601 -0.9114 1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -0.1138 2.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6551 1.0967 1.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -0.9102 3.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -1.4404 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 1.3371 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7852 1.9976 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 0.1523 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 0.0559 -3.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -1.5220 -3.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5465 -2.5391 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2143 -1.3063 -3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 -1.4304 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 -0.6598 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 1.0843 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 0.1678 -1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 1.4808 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 2.1489 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6643 1.0709 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 -0.4378 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 0.7864 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 -0.7138 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -1.7825 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3244 -1.2858 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 -0.7590 2.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 0.2177 2.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5438 1.2681 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0051 1.9894 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9994 0.9658 0.7644 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 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 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 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 20 46 1 0 M END