HMDB0031355 RDKit 3D 28-Hydroxywithanolide E 74 79 0 0 0 0 0 0 0 0999 V2000 6.9169 1.5887 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7499 1.0850 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 -0.0811 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 -0.8557 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -2.0887 -0.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 -0.5752 0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4351 -0.1093 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1891 -0.6799 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -0.1684 2.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -2.0706 0.7782 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 -0.1944 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 1.1881 0.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2678 -0.4594 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1229 -0.2397 -1.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0544 -0.7732 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -2.0473 -1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 0.1596 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 0.5406 -1.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 1.6629 -1.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 2.3602 -0.3601 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 1.4959 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9916 2.0731 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5968 1.8507 1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2449 0.8779 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2118 -0.0489 1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -0.9773 2.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5552 0.0991 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3819 -0.7578 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -0.4578 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 -0.3863 1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 -0.0383 1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 -0.7999 0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 -2.2378 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 1.3114 0.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 1.8586 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 2.9809 -1.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 1.7541 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2082 0.9138 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 2.6063 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8490 -0.2766 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5790 -1.0335 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6820 -2.6863 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 -0.1536 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 -1.6859 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 -0.4885 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 0.1594 2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7388 -0.9252 2.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 0.7428 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -2.2569 -0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9518 1.6797 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5505 -1.4957 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 0.3066 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2164 -0.6704 -2.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 0.8776 -2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -2.0994 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 1.1206 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 -0.2684 -2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 1.0156 -2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1922 2.3695 -2.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9295 3.1696 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5987 1.6619 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3696 2.5299 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7262 0.7548 2.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7023 -0.1810 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7913 -1.6577 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3078 -1.1447 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2315 -1.5481 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 -1.3649 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9911 0.3889 2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 1.0414 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -0.4049 2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 -2.9077 0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 -2.5901 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1318 -2.3390 1.9162 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 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 7 34 1 0 34 35 1 0 35 36 2 0 35 2 1 0 32 11 1 0 32 15 1 0 29 17 1 0 21 19 1 0 27 21 1 0 1 37 1 0 1 38 1 0 1 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 9 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 29 67 1 0 30 68 1 0 30 69 1 0 31 70 1 0 31 71 1 0 33 72 1 0 33 73 1 0 33 74 1 0 M END