HMDB0032011 RDKit 3D Gibberellin A112 53 56 0 0 0 0 0 0 0 0999 V2000 4.6825 0.9670 -1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 0.7050 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 0.6462 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 0.5273 -0.0799 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9420 1.0923 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 0.4039 0.8788 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1389 -1.1040 0.9826 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7091 -1.7762 -0.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -1.5038 1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 -0.9414 0.1192 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6216 -0.9993 0.3576 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9818 -1.0705 1.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -2.1956 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 -2.0831 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 -0.7703 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 0.4734 -0.1186 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0601 1.3350 -1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 1.3236 1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 1.6937 1.8822 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 1.7435 1.2273 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 0.1822 -0.3935 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1303 1.2371 -0.3103 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0080 1.9651 -1.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 1.4172 -2.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5975 3.2297 -1.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6019 0.9820 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 1.1797 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1755 -0.3234 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 1.5002 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 0.9181 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 2.1716 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 0.8047 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 -1.4078 1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -2.5078 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 -1.1806 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 -2.6141 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 -1.4861 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 -1.0078 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 -0.3944 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 -2.1595 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -2.1967 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9036 -3.1112 0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -2.7834 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 -2.5975 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1041 -0.7227 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1133 -0.6703 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 2.3209 -1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0104 0.7788 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 1.4481 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 1.2134 1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1322 -0.1551 -1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2347 1.9565 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 3.5464 -2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 4 3 1 6 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 1 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 1 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 6 2 1 0 21 11 1 0 10 4 1 0 22 4 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 5 31 1 0 6 32 1 1 7 33 1 1 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 6 12 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 17 47 1 0 17 48 1 0 17 49 1 0 20 50 1 0 21 51 1 6 22 52 1 1 25 53 1 0 M END