HMDB0246135 RDKit 3D 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-(p... 55 58 0 0 0 0 0 0 0 0999 V2000 1.0736 -0.8662 0.6704 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9113 0.4509 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 1.2092 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 0.6388 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -0.6021 -0.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7235 -1.2611 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 -0.8572 0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8730 -1.4896 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 -2.5425 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4739 -3.2143 0.3568 N 0 0 0 0 0 4 0 0 0 0 0 0 8.7431 -4.1639 -0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 -2.8142 1.2902 O 0 0 0 0 0 1 0 0 0 0 0 0 6.3059 -2.9603 -0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0799 -2.3231 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 2.5067 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 3.4058 -0.9250 S 0 0 0 0 0 6 0 0 0 0 0 0 3.0317 4.7930 -1.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 3.5140 0.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 2.6963 -2.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7295 3.0699 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 2.3094 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 2.9142 -0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 2.2022 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3526 2.9687 -0.4292 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.2450 2.1517 -1.3083 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9932 3.0125 0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 4.5338 -0.9842 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 0.9097 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 0.2364 0.5069 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 -0.6653 -0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6321 -1.3304 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7078 -1.3190 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8857 -1.9601 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0490 -2.6416 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9657 -2.6466 1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7843 -2.0080 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 0.2842 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 -0.9746 0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3214 1.0114 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1046 -1.6576 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1668 -1.0075 1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -0.0372 1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5779 -1.1573 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5915 -3.7922 -1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -2.6527 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0007 1.8094 -2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 4.0921 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 3.9327 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8667 5.1133 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6338 -0.7968 -1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7487 -1.9626 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9629 -3.1484 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0482 -3.1733 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9238 -2.0054 1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 -1.7353 1.0648 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 3 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 2 0 3 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 15 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 2 0 24 27 1 0 23 28 2 0 28 29 1 0 29 30 2 3 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 28 37 1 0 37 38 1 0 37 39 2 0 39 2 1 0 14 6 1 0 39 21 1 0 36 31 1 0 1 40 1 0 1 41 1 0 7 42 1 0 8 43 1 0 13 44 1 0 14 45 1 0 19 46 1 0 20 47 1 0 22 48 1 0 27 49 1 0 32 50 1 0 33 51 1 0 34 52 1 0 35 53 1 0 36 54 1 0 38 55 1 0 M CHG 2 10 1 12 -1 M END