HMDB0029617 RDKit 3D Glucoobtusifolin 54 57 0 0 0 0 0 0 0 0999 V2000 1.3260 2.3811 1.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9289 1.6416 0.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 0.2564 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 -0.5584 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 0.0161 1.3787 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 0.3491 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4324 -0.3449 1.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6059 0.0691 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 -1.1333 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7627 -1.9064 1.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 1.0258 -0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 0.2794 -1.8169 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4671 1.9968 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 1.6846 -1.7091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 1.8016 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 2.1723 1.6848 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 -1.9277 0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -2.8494 1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 -2.4423 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 -1.6348 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 -0.2678 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 0.5782 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 1.8187 -0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 0.0235 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6342 0.8151 -1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 2.1745 -1.2988 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8305 0.2355 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -1.1296 -1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9352 -1.9023 -1.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 -1.3533 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 -2.1900 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 -3.4289 -0.4483 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 1.8243 2.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 2.5895 2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 3.3866 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 0.0375 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1828 0.5734 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -1.7127 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4201 -0.8105 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0358 -2.5804 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5433 1.6166 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4533 0.0033 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8154 3.0323 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 1.3973 -2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 2.4811 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 3.1572 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -3.7127 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -3.1295 0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6926 -2.2577 1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -3.5316 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 2.8486 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6654 0.8377 -2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9204 -1.5871 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -2.9724 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 4 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 21 3 1 0 30 24 1 0 15 6 1 0 31 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 6 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 18 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 M END