HMDB0041681 RDKit 3D 4-Hydroxyenterodiol 45 46 0 0 0 0 0 0 0 0999 V2000 -2.5135 -0.6581 -2.3122 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 -1.4120 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 -0.9862 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 0.4550 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 0.6230 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 0.4894 2.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1805 0.6321 3.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 0.9263 2.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 1.0629 1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3052 1.3599 1.4038 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1159 0.9149 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -1.1204 -1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3216 -2.6242 -2.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -3.4810 -1.3088 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 -1.0177 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 0.1068 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7951 1.2782 -1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4148 2.3080 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 2.1981 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 3.2438 1.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 1.0546 1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.9883 2.6697 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 0.0340 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 -0.0071 -2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 -2.4769 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 -1.3181 -0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 -1.6104 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 0.8600 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 1.0909 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 0.2559 2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 0.5270 4.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1698 1.0418 3.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9744 0.6109 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5312 1.0382 -0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -0.5844 -2.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -2.6446 -3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5877 -2.7951 -2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 -4.2027 -1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 -1.2942 -2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9573 -1.9313 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 1.3947 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 3.1894 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 3.1428 2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 0.1684 3.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 -0.8307 1.1931 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 3 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 11 5 1 0 23 16 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 18 42 1 0 20 43 1 0 22 44 1 0 23 45 1 0 M END