HMDB0303146 RDKit 3D Sonchuside C 61 64 0 0 0 0 0 0 0 0999 V2000 0.4206 1.8473 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6346 0.5681 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 0.1310 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 0.8481 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8892 1.9911 0.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 2.1804 1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 3.2279 1.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8264 0.8648 1.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3247 0.5804 2.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -0.0649 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 -1.2763 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 -2.0003 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 -1.1442 -1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -0.8228 -2.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 -1.8720 -1.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0267 -0.8376 -2.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -0.2374 -0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 0.5577 -0.9274 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7225 0.1356 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 1.0656 0.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 0.5243 1.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7343 1.6410 2.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2737 2.5888 1.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3197 -0.1031 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9493 -1.0248 1.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9525 -0.7907 -0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -2.1273 -0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 -0.0633 -1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4683 -0.6766 -2.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 2.7178 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 2.0804 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 1.8318 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8283 0.9883 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6492 0.8607 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6351 1.5614 3.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2834 -0.0070 2.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 0.0686 3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 -0.3614 1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 -1.9698 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -1.0949 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 -2.9434 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -2.2422 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 -0.5402 -2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 -1.7551 -3.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 0.0236 -2.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5225 -2.4496 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 -2.5340 -2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 -1.2962 -2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 0.0065 -2.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 -1.0903 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -0.8046 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7641 -0.2393 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 1.3012 2.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 2.1130 2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5368 3.1149 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0821 0.6783 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5505 -1.6227 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8606 -0.8271 -1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2074 -2.1862 0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2587 0.9628 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8637 -0.0561 -2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 17 2 1 0 28 19 1 0 13 3 1 0 10 4 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 14 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 19 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 23 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 29 61 1 0 M END