HMDB0034022 RDKit 3D 6-Hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid 39 41 0 0 0 0 0 0 0 0999 V2000 6.7362 0.0393 -2.8852 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4878 0.7613 -1.5996 S 0 0 0 0 0 6 0 0 0 0 0 0 6.6297 2.2559 -1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6081 0.3204 -0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8987 0.3967 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 -0.8048 -1.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 -1.0271 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.0393 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -0.2692 0.7204 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 -1.0731 0.2789 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -1.2952 0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 -2.1832 1.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2184 -2.9083 2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 -2.3720 2.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 -1.6673 1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -0.7758 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5008 -0.0779 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2916 0.8152 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6304 1.7421 -1.3218 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.2982 1.9715 -2.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8728 0.9099 -1.2054 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8072 3.1841 -0.5054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 0.9940 -1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 0.2963 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 -0.5994 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 1.1592 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 1.3875 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1967 0.2186 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7968 -1.5729 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5888 -1.9979 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 -2.7933 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -3.0656 3.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6344 -1.8027 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4998 -0.2222 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9402 3.6690 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 1.6961 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 0.4204 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 1.9495 0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 2.3603 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 2 0 19 22 1 0 18 23 2 0 23 24 1 0 24 25 2 0 8 26 1 0 26 27 2 0 27 5 1 0 25 11 1 0 25 16 1 0 4 28 1 0 6 29 1 0 7 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 17 34 1 0 22 35 1 0 23 36 1 0 24 37 1 0 26 38 1 0 27 39 1 0 M END