HMDB0060566 RDKit 3D Carbamazepine-O-quinone 30 32 0 0 0 0 0 0 0 0999 V2000 -0.2774 2.8989 1.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 2.1541 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 2.6942 -1.2851 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 0.7544 -0.0199 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 -0.0001 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3532 0.7173 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 0.1060 0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5889 0.8341 0.7065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 -1.2715 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -1.8563 0.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.0286 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 -1.4498 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 -2.3550 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 -2.1117 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 -0.8891 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 -1.0459 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 0.0777 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 1.3422 -0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 1.4858 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 0.3839 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 2.4238 1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 2.1826 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 1.8040 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5253 -3.1080 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5558 -3.3916 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 -2.9527 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 -2.0397 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 -0.0314 -0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 2.2362 -0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 2.4359 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 2 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 20 4 1 0 12 5 1 0 20 15 1 0 1 21 1 0 3 22 1 0 6 23 1 0 11 24 1 0 13 25 1 0 14 26 1 0 16 27 1 0 17 28 1 0 18 29 1 0 19 30 1 0 M END