HMDB0006791 RDKit 3D Melibiitol 47 47 0 0 0 0 0 0 0 0999 V2000 5.5163 1.2635 -0.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 -0.0878 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 -0.8852 -0.5412 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9760 -2.2523 -0.6369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 -0.8553 0.4257 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7580 -1.2537 1.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 0.3809 0.3212 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1952 1.5100 0.8443 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 0.3218 0.9775 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5948 1.5105 0.6085 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 -0.8388 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 -0.8785 1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 0.1204 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 0.3150 -0.5973 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6642 -0.8139 -1.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7802 -1.2732 -0.5179 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3614 -2.2458 -1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8323 -0.2645 -0.2302 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8661 -0.3129 -1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3518 1.1294 -0.0298 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3200 1.4942 1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 1.4468 -0.7172 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5682 2.6567 -0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 1.8229 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -0.5222 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4872 -0.2136 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1482 -0.6117 -1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 -2.2008 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6964 -1.7003 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -0.5371 2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3627 0.5518 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 1.5145 1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3011 0.3465 2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 1.6576 -0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 -1.7614 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -0.9913 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7161 -0.2060 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5463 1.1006 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2029 0.5507 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -1.8436 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9727 -2.8389 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3412 -0.5786 0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6551 -0.9353 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1271 1.8170 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9367 0.9709 1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 1.5511 -1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6949 2.8695 -0.6829 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 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 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 14 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 6 4 28 1 0 5 29 1 6 6 30 1 0 7 31 1 6 8 32 1 0 9 33 1 1 10 34 1 0 11 35 1 0 11 36 1 0 13 37 1 0 13 38 1 0 14 39 1 6 16 40 1 1 17 41 1 0 18 42 1 1 19 43 1 0 20 44 1 6 21 45 1 0 22 46 1 6 23 47 1 0 M END