HMDB0060420 RDKit 3D 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate 41 44 0 0 0 0 0 0 0 0999 V2000 2.4133 1.7626 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 1.1709 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 2.0612 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 3.4103 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 4.3181 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 3.9420 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 2.5653 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 1.6529 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5309 0.2843 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8932 -0.0729 -0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3176 -1.3426 -0.9663 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -1.9591 0.6053 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.9707 -1.8637 1.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1374 -3.3929 0.6682 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 -1.0755 1.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 -0.5755 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.9306 -0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -2.8429 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 -2.4436 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -3.3497 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8758 -3.0131 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -1.7061 0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0695 -0.7347 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 -1.0854 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 -0.1629 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7172 2.2172 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 1.3792 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 2.7676 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 3.7583 0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 5.3715 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 4.6107 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 2.2353 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 0.5686 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0641 0.3391 -2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 -1.3792 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 -2.2900 -1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2537 -3.8918 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 -4.3917 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 -3.7639 0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0134 -1.3485 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 0.2010 0.9381 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 9 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 2 1 0 8 3 1 0 25 16 1 0 24 19 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 10 33 1 0 10 34 1 0 15 35 1 0 17 36 1 0 18 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 M END