HMDB0302643 RDKit 3D Benzyladenine 7-O-beta-D-glucoside 49 52 0 0 0 0 0 0 0 0999 V2000 -2.1512 -1.3270 3.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 -1.8360 1.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 -1.0310 1.1151 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6832 0.2508 1.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4906 0.4344 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 1.8579 0.1347 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 2.6978 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 3.9604 -0.0824 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 3.9550 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 4.9176 -0.3993 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 4.6796 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 3.4184 -0.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 2.3520 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 1.0570 -0.0429 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 0.9316 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 -0.4433 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.7294 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -2.0321 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -3.0509 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 -2.7888 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 -1.4778 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.6336 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4602 -0.3527 -0.9260 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7732 0.3068 -1.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8305 -0.7609 -1.3299 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8600 -1.4389 -2.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3157 -1.6858 -0.2258 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6215 -2.0382 -0.5101 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2513 -0.3449 3.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 -2.8930 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 -1.9696 1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 -1.0203 1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7508 -0.0032 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 2.3996 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1832 5.4859 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 0.1967 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3555 1.4337 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 1.5605 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3444 0.0433 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 -2.2459 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 -4.0790 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 -3.5701 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 -1.3429 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 -1.3032 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 -0.1661 -2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 0.0931 -1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -0.8451 -3.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 -2.5948 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2266 -1.2951 -0.2492 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 13 22 2 0 5 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 3 1 0 22 6 1 0 22 9 1 0 21 16 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 1 5 33 1 0 7 34 1 0 11 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 23 44 1 1 24 45 1 0 25 46 1 6 26 47 1 0 27 48 1 1 28 49 1 0 M END