HMDB0036891 RDKit 3D Gibberellin A22 47 51 0 0 0 0 0 0 0 0999 V2000 4.0330 1.0979 1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9767 0.3891 0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 0.5154 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 -0.2462 0.3739 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7284 -1.4187 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 -0.6610 -0.1908 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1327 -1.4852 -0.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -0.0792 -1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 0.0988 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.6528 -0.8286 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7973 0.7670 -1.0541 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2952 2.1329 -1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 2.1943 -1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 1.2283 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 -0.0450 -0.2157 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6273 -0.8462 0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -2.0050 1.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -0.7689 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -1.6990 -1.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -0.2272 -1.9387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 0.3873 0.2840 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5600 -0.6631 0.8097 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6928 -0.7251 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 0.0009 2.9388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 -1.6071 3.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9821 1.8643 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0178 0.9551 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5007 0.1442 2.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 1.5908 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 -1.9884 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 -2.0191 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -2.3647 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 0.8534 -1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 -0.8125 -2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -0.8403 -2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 0.8483 -2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 1.6874 -0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 2.4748 -2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 2.8410 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 3.0995 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5442 1.3679 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -1.1999 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 -0.2926 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 -2.7175 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 1.2621 0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 -1.6748 0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 -2.0667 3.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 4 3 1 1 4 5 1 0 5 6 1 0 6 7 1 6 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 1 16 17 1 0 15 18 1 0 18 19 2 0 18 20 1 0 15 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 6 2 1 0 11 20 1 6 10 4 1 0 21 11 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 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 1 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 21 45 1 1 22 46 1 6 25 47 1 0 M END