HMDB0031676 RDKit 3D 5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside 59 61 0 0 0 0 0 0 0 0999 V2000 6.4886 -0.1530 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 -0.2306 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2878 -1.5090 -0.9686 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 0.2808 -0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 -0.4693 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 0.0189 -0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 0.4511 -1.9571 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -0.8098 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -1.9582 -2.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -0.8709 -0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 0.4663 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 0.2593 -0.0359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8613 0.7987 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 -0.1726 -1.2161 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 -0.9741 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4356 -1.7163 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0656 -2.4936 -1.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6286 -0.1617 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6417 -0.0911 2.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9176 1.2450 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9381 1.2519 -0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 1.8277 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 2.2904 1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 1.2879 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6617 0.6781 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 1.8415 0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 -0.2988 1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 -1.0248 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -0.0411 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 0.7459 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8036 0.4454 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5779 -2.1644 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 1.3047 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 -1.4993 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 -2.2741 -2.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 -1.6856 -2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1579 -2.8470 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 -1.2637 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -1.5736 -0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 1.0314 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4729 1.2893 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 -1.6979 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 -2.3695 0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1803 -0.9831 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -2.0822 -2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5252 -0.6215 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5248 -0.9722 2.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1899 1.8658 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9198 2.0738 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 2.7209 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 2.2324 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 1.5116 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 2.3110 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7351 2.4835 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 2.4215 1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 1.4962 1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -0.1022 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -0.1654 2.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 -1.3547 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 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 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 11 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 8 6 1 0 22 13 1 0 25 6 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 9 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 13 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 26 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 27 59 1 0 M END