HMDB0030163 RDKit 3D Galbanic acid 59 61 0 0 0 0 0 0 0 0999 V2000 -4.2408 -2.5348 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7646 -1.1961 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7378 -0.4637 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -0.8401 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6991 -1.7417 1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -2.0463 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 -1.1415 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -1.6951 -1.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 0.2796 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 1.0847 -1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 0.8049 0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 0.7847 0.4406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 0.6360 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 1.7823 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1117 1.7442 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7013 0.5235 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0582 0.5181 -0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6558 -0.7015 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8595 -1.8195 -0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4418 -2.9242 -1.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5779 -1.7609 -0.5908 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9503 -0.6259 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -0.5728 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 0.4356 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 1.5679 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 1.8609 1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 2.9941 2.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 2.9075 3.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 4.1203 1.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1422 -2.5426 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6377 -3.3472 0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2925 -2.6732 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2773 0.3064 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 -1.1545 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 0.0350 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -2.7187 1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 -1.2926 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -1.9643 1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 -3.0843 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 -1.2063 -0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -2.2261 -2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -0.9035 -2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -2.4198 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 1.2416 -2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 2.0924 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 0.5927 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1948 0.2159 1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 1.8712 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 2.7438 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 2.6434 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 1.4339 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7164 -0.7366 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -1.4829 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 0.7807 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 1.4282 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7898 2.4903 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 2.1765 0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 1.0308 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2337 4.6896 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 9 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 24 4 1 0 23 13 1 0 22 16 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 8 43 1 0 10 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 14 49 1 0 15 50 1 0 17 51 1 0 18 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 25 56 1 0 26 57 1 0 26 58 1 0 29 59 1 0 M END