HMDB0247443 RDKit 3D 8-Hydroxypyrene-1,3,6-trisulfonic acid 39 42 0 0 0 0 0 0 0 0999 V2000 3.7348 1.8924 3.0511 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 1.6766 1.6191 S 0 0 0 0 0 6 0 0 0 0 0 0 5.5745 1.2299 1.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0365 3.0908 0.7244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 0.4314 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7236 -0.7456 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9494 -1.7439 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 -2.9222 -0.5979 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 -1.5661 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -2.5081 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 -2.3006 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -1.1260 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4898 -0.9695 -0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 -2.2145 -1.6002 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.0052 -2.4805 -3.0161 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8787 -1.7608 -1.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -3.6554 -0.7404 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0459 0.2128 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2775 1.2000 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 2.6968 0.7396 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.3966 3.8839 0.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 2.7850 2.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 2.6606 0.4116 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 1.0048 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 1.9505 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 1.7996 1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 0.6123 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 -0.3794 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 -0.1726 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 2.8503 -0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 -0.9693 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -3.6999 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -3.4255 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 -3.0388 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2992 -3.5140 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 0.3465 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9409 3.4480 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 2.8716 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 2.5488 1.5901 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 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 13 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 19 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 27 5 1 0 28 9 1 0 29 12 1 0 29 24 1 0 4 30 1 0 6 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 17 35 1 0 18 36 1 0 23 37 1 0 25 38 1 0 26 39 1 0 M END