HMDB0033348 RDKit 3D Rutalinium 41 43 0 0 0 0 0 0 0 0999 V2000 1.6100 3.1173 -1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 2.4390 0.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 1.1171 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1603 0.7467 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 -0.5579 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4265 -1.5011 0.4790 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0471 -2.9083 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 -1.1827 0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -2.1567 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0182 -1.8073 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 -0.4929 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7673 -0.1718 -0.3549 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 0.4801 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 0.1323 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -0.8671 0.7765 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8892 -0.0696 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0651 -0.2341 1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3124 -0.7326 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 1.3471 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 1.6277 -1.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2087 1.7842 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 3.4079 -1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2568 2.4308 -1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 4.0258 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -3.3494 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 -2.9890 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -3.3883 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3671 -3.1905 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 -2.5945 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 -0.8741 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 1.5210 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0231 -0.0302 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 0.4706 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -1.2556 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2048 -0.2653 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 -0.6448 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 -1.8166 -0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 1.9890 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5106 1.6632 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 2.1365 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 2.6441 -0.0601 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 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 5 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 14 3 1 0 21 4 1 0 14 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 17 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 M CHG 1 6 1 M END