HMDB0303453 RDKit 3D Gibberellin A12 52 55 0 0 0 0 0 0 0 0999 V2000 4.0816 0.0037 -2.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 -0.2776 -1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 -0.6562 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 -0.7056 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 -1.1752 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 -0.2657 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 1.1694 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 1.6486 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 0.7303 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 1.0106 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 1.9365 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 1.6463 1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 1.8774 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 0.9212 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -0.4851 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -1.2793 -1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 -1.0475 1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 -1.3384 2.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -1.2782 1.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9363 -0.3853 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 -1.3398 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.7285 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 -3.2623 -0.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1478 -3.5915 0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1017 0.2631 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8096 -0.0132 -3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 -1.5676 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2652 0.1059 -1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 -0.9940 1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 -2.1994 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5495 -0.6438 0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 1.7604 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 1.1900 1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 1.5425 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8108 2.6748 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 0.6915 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6814 1.4622 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 2.7963 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 2.4474 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 1.1313 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7327 2.6653 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 1.7936 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7991 2.9070 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 0.7114 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 1.2617 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -2.3010 -0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9872 -0.8200 -1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 -1.3085 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9389 -0.8429 1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.5044 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -1.3019 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4741 -4.0358 -0.7811 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 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 6 2 1 0 20 10 1 0 9 4 1 0 21 4 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 11 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 16 46 1 0 16 47 1 0 16 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 24 52 1 0 M END