HMDB0037985 RDKit 3D Cyananin 35 37 0 0 0 0 0 0 0 0999 V2000 0.7117 -1.8256 1.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -0.9400 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -0.3536 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -0.9239 0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4963 -2.2987 0.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9027 -0.6447 2.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -0.9674 3.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 0.1446 1.9989 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4578 0.3651 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5415 1.0783 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6893 1.8728 1.1842 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 1.1306 -1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7923 0.5234 -2.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0095 0.6274 -3.8531 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 -0.1671 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5575 -0.2576 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 -0.5439 0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 -1.1331 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 -0.7872 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 0.1789 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0086 0.7866 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 1.7851 -1.2956 N 0 0 0 0 0 4 0 0 0 0 0 0 5.5306 2.1094 -1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 2.4016 -2.0371 O 0 0 0 0 0 1 0 0 0 0 0 0 2.6845 0.4269 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 0.7485 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 -0.5871 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 -2.4925 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 0.5303 2.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5194 1.6915 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -0.6709 -2.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -1.8998 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4686 -1.2430 1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 0.4482 0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.8869 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 2 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 2 0 16 4 1 0 25 17 1 0 16 9 1 0 3 26 1 0 3 27 1 0 5 28 1 0 8 29 1 0 12 30 1 0 15 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 25 35 1 0 M CHG 2 22 1 24 -1 M END