HMDB0302640 RDKit 3D 6-(4-O-beta-D-Glucosyl-3-methyl-trans-but-2-enyl-amino)-purine 50 52 0 0 0 0 0 0 0 0999 V2000 -0.1834 -2.9236 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 -2.2971 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 -1.7598 -1.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -1.7449 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 -0.4021 -0.2489 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 -0.2739 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5477 -1.3493 1.0163 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 -1.2409 1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1934 -0.0509 2.1094 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6214 1.0834 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8295 2.4034 1.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 3.0748 1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0022 2.1876 0.5652 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 0.9595 0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 -2.2728 -1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 -1.5984 -1.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0906 -0.2900 -1.0084 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3454 -0.0942 0.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 1.2375 0.5828 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2734 1.6510 2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 1.4188 2.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 1.5707 0.1979 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1513 2.9513 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 0.8534 -1.1053 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8359 -0.3950 -0.7741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 0.5739 -1.8756 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3891 1.7081 -2.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 -2.2754 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -3.2940 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 -3.8142 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -1.3065 -2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 -2.3198 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -2.2489 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2223 0.4468 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 -2.3088 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1153 -2.1662 2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 4.1437 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -1.7214 -2.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5828 -3.2874 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 0.0217 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8506 1.8122 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 1.1525 2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 2.7440 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 2.2111 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6683 1.1802 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0983 3.1441 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9941 1.3922 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8817 -0.9834 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3278 -0.0131 -2.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 2.5100 -2.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 2 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 6 2 0 26 17 1 0 14 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 7 35 1 0 8 36 1 0 12 37 1 0 15 38 1 0 15 39 1 0 17 40 1 1 19 41 1 6 20 42 1 0 20 43 1 0 21 44 1 0 22 45 1 1 23 46 1 0 24 47 1 6 25 48 1 0 26 49 1 6 27 50 1 0 M END