HMDB0258102 RDKit 3D o2',o3',o5'-Tri-acetyl-n6-(3-hydroxyphenyl)adenosine 58 61 0 0 0 0 0 0 0 0999 V2000 -3.6063 5.2648 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 3.7752 1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7397 3.0858 2.5131 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5931 3.1513 0.2748 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 1.7808 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4912 0.9866 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3657 0.9939 1.9262 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -0.1018 2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 0.2981 1.6666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 1.5566 1.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 1.6007 1.2189 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 0.4180 0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -0.0810 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 0.8097 -0.2985 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 0.4918 -1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 -0.6475 -1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -0.9211 -2.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -0.0399 -2.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 1.1177 -1.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 2.0378 -1.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1262 1.3840 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -1.3524 -0.4528 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -2.1649 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -1.6341 0.5157 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 -0.3832 0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -1.1605 1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 -2.3935 1.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -3.4953 2.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 -4.8616 1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -3.3194 2.6444 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 -0.4708 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 -0.8555 -0.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8348 -1.3965 -1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1993 -1.7555 -2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7936 -1.5633 -2.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6504 5.6228 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1905 5.5951 2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9467 5.6068 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 1.3886 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 1.7337 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 1.4792 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -0.2288 3.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 2.3894 2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 1.8067 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -1.3884 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 -1.8651 -3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3831 -0.2295 -2.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0714 1.9621 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0392 2.2891 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -3.1996 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 -1.2661 2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9772 -5.0316 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 -5.1174 2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 -5.5678 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -0.6543 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4865 -0.9050 -2.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8451 -1.8963 -1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1718 -2.6785 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 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 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 13 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 8 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 2 0 26 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 2 0 31 6 1 0 25 9 1 0 25 12 1 0 21 15 1 0 1 36 1 0 1 37 1 0 1 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 8 42 1 0 10 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 20 48 1 0 21 49 1 0 23 50 1 0 26 51 1 0 29 52 1 0 29 53 1 0 29 54 1 0 31 55 1 0 34 56 1 0 34 57 1 0 34 58 1 0 M END