HMDB0031095 RDKit 3D Gibberellin A108 46 51 0 0 0 0 0 0 0 0999 V2000 4.0199 0.3000 1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 0.4163 0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1993 0.5231 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8973 -0.8357 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.4712 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 -2.2812 0.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 -0.5070 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 0.4695 1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 0.8730 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 1.3875 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 1.5105 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9439 2.1030 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 3.3144 -1.1911 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 1.4573 -2.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1018 0.5151 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4931 0.1438 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 1.1234 1.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1716 -0.3374 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5269 -1.5720 -0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -1.4729 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4997 -0.8503 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9758 -1.5416 1.5295 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3183 -1.1116 1.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2163 -1.6574 2.3413 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0574 0.2709 1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7461 0.2350 2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1484 0.9420 -0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 -0.6734 -2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -1.4180 -1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -2.1634 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -3.2226 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 0.8491 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8795 1.3298 -2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2861 2.4430 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 2.3881 0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 1.7617 -3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 0.6226 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8351 1.7784 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2556 0.6109 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 1.7842 2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 0.3781 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2383 -0.5860 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -2.4634 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7531 -1.6890 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -1.1140 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 -2.5625 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 8 2 1 0 21 15 1 0 10 3 1 0 23 16 1 0 9 7 1 0 21 7 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 8 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 14 36 1 0 15 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 M END