HMDB0036764 RDKit 3D Romucosine C 47 50 0 0 0 0 0 0 0 0999 V2000 5.0482 -2.3218 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 -1.5915 -0.5506 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -0.3536 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 0.1057 0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 0.3322 0.3494 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 1.6383 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8547 2.6057 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5193 2.0368 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 2.8933 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 2.3712 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 3.2256 -0.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 4.6235 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 0.9832 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 0.5761 -0.4663 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 0.4478 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 0.1425 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 0.7009 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.2436 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1374 -1.5089 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0798 -2.1429 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -3.5132 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 -4.0645 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 -3.2715 -0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6525 -3.7880 -1.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 -1.8784 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -1.3082 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -1.7959 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 -2.2553 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7705 -3.3505 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4946 1.5041 2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 2.0205 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 2.8948 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 3.4829 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 3.9464 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 4.8414 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 5.0219 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 5.1664 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 -0.2325 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4501 1.4141 1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1453 -0.0751 0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 -0.5050 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -1.2591 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 -2.1794 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -4.1197 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -5.1442 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 -4.7658 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1851 -1.3067 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 18 5 1 0 26 20 1 0 17 8 1 0 26 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 24 46 1 0 25 47 1 0 M END