HMDB0034271 RDKit 3D Hypericin 54 61 0 0 0 0 0 0 0 0999 V2000 4.0749 -0.5505 1.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -0.9974 0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 -2.3219 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5837 -3.0902 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 -4.3944 -0.5975 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -2.5213 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 -3.3103 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 -4.4815 -1.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -2.7601 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 -3.5465 -1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 -4.8489 -2.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 -3.0625 -1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4699 -1.7394 -1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7483 -1.3879 -1.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 -0.9525 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 0.3597 -0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0024 0.9046 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 0.2773 -1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2146 2.2439 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 2.9789 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 4.2971 0.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9681 2.4494 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 3.2332 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 4.4303 1.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 2.7138 0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 3.5205 1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 4.8222 1.8652 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 3.0093 1.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8035 1.6874 1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2455 1.4856 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 0.8759 0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0757 -0.4311 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -1.2448 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 -0.6777 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 -1.4594 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 0.6162 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 1.4247 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7327 1.1373 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5649 0.0442 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9541 -1.5530 2.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 -0.6225 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -2.7193 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6718 -4.8876 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -5.4916 -2.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8979 -3.7132 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -2.0220 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9896 0.7219 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2153 2.6309 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3607 4.7449 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 5.4833 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 3.5979 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0077 1.7482 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4129 0.8578 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3702 2.4908 0.1817 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 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 32 2 1 0 33 6 1 0 35 9 2 0 35 15 1 0 38 16 2 0 38 22 1 0 37 25 1 0 37 31 1 0 1 39 1 0 1 40 1 0 1 41 1 0 3 42 1 0 5 43 1 0 11 44 1 0 12 45 1 0 14 46 1 0 18 47 1 0 19 48 1 0 21 49 1 0 27 50 1 0 28 51 1 0 30 52 1 0 30 53 1 0 30 54 1 0 M END