HMDB0040831 RDKit 3D Rheinoside C 72 76 0 0 0 0 0 0 0 0999 V2000 -4.9683 4.1763 2.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 4.0880 2.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8766 4.8414 4.1137 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 3.2033 2.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 3.1392 3.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 2.3032 3.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 2.2419 3.8865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 1.5486 1.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 1.6229 1.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 2.4680 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 0.6675 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2867 0.6239 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2034 -0.3598 -1.7027 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3985 -0.4317 -2.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -1.4523 -3.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8672 -2.6639 -2.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5194 -0.9616 -1.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0092 -2.1834 -1.9918 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -1.2085 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7786 -1.6582 0.7494 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3721 0.1702 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8789 -0.0730 1.5631 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7571 0.4010 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 0.0799 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.3394 -2.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -0.4499 -1.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -0.1283 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6897 -0.2076 0.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -0.6016 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 -1.5886 0.8758 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6163 -2.0926 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -3.2325 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 -2.8563 -1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7056 -1.1064 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6332 -1.6899 -0.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2795 0.1889 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3412 0.1810 -1.5151 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8868 0.6030 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7614 0.8471 1.6375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 0.2956 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 0.8666 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 0.7567 2.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 5.3920 4.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5982 3.7005 4.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 1.8129 3.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7744 2.5268 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 -0.3565 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5156 1.5905 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6657 0.5258 -2.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 -1.1600 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0811 -1.5808 -4.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -3.1760 -3.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3602 -0.2738 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1582 -2.8072 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -1.8269 -0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3952 -2.3409 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2334 0.8494 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6073 0.1772 2.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 0.1730 -2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -0.5718 -3.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 -0.7779 -2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 -0.8771 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.6081 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 -3.5009 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1793 -4.1226 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 -3.6326 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2871 -0.8891 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7523 -1.1675 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 0.9905 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7206 0.8821 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 1.4883 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 1.5323 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 11 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 27 40 2 0 40 41 1 0 41 42 2 0 10 4 1 0 21 12 1 0 40 23 1 0 41 8 1 0 38 29 1 0 3 43 1 0 5 44 1 0 7 45 1 0 10 46 1 0 11 47 1 0 12 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 22 58 1 0 24 59 1 0 25 60 1 0 26 61 1 0 29 62 1 0 31 63 1 0 32 64 1 0 32 65 1 0 33 66 1 0 34 67 1 0 35 68 1 0 36 69 1 0 37 70 1 0 38 71 1 0 39 72 1 0 M END