HMDB0033356 RDKit 3D Xanthoplanine 52 55 0 0 0 0 0 0 0 0999 V2000 5.0408 -2.0180 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 -2.8014 -0.9659 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 -2.5338 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 -1.2967 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8855 -0.9662 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 -1.8396 -1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 -3.0681 -1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 -3.4043 -1.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -4.6478 -2.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 -1.5867 -1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 -0.2862 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 0.5639 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 1.7331 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 2.6139 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 2.3817 1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 3.2849 1.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 4.4745 2.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 1.2062 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 1.0672 0.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 1.7388 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 0.3220 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 2.0434 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 0.9235 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 -0.3818 0.1828 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0121 -1.3662 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -0.7183 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -2.2866 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0287 -2.3102 -0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 -0.9214 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.6658 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -3.7309 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5414 -5.2954 -2.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9426 -2.3784 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8895 -1.7723 -2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.3249 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 3.5432 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 5.2069 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5742 4.3556 3.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 4.9733 2.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 2.8226 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 1.4700 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 1.4149 -1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1015 2.3626 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0865 2.9184 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 1.0561 -0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6232 0.8937 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 -2.2995 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7951 -1.6411 -1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0908 -1.0670 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -0.2365 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -1.8282 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -0.3470 2.1748 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 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 13 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 8 3 1 0 24 11 1 0 21 5 1 0 21 12 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 14 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 22 43 1 0 22 44 1 0 23 45 1 0 23 46 1 0 25 47 1 0 25 48 1 0 25 49 1 0 26 50 1 0 26 51 1 0 26 52 1 0 M CHG 1 24 1 M END