HMDB0029560 RDKit 3D Hesperaline 41 41 0 0 0 0 0 0 0 0999 V2000 5.9102 -2.5197 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6119 -1.1556 0.1752 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2978 -0.7051 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2105 -1.5403 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9278 -1.0440 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 0.3071 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 0.8368 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1222 2.0596 0.0736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 -0.0114 -0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 0.5022 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 -0.6936 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3571 -0.2516 -0.2759 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1187 -1.1808 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8712 -0.1932 1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4687 1.0671 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 1.1650 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0406 0.6606 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 1.5576 0.2969 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 2.9484 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 -2.9102 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 -2.6459 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4256 -3.1001 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.6016 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0899 -1.7532 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2409 1.1931 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2819 0.9944 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -1.2821 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 -1.3357 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2262 -2.1192 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0866 -0.7021 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 -1.3311 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9125 -0.5676 1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 -0.8965 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.8102 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 1.2906 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 1.8611 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 1.0837 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 2.2586 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 3.1337 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8062 3.5250 0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 3.2859 -0.4978 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 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 6 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 3 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 19 39 1 0 19 40 1 0 19 41 1 0 M CHG 1 12 1 M END