HMDB0240569 RDKit 3D Urolithin-3-sulfate 28 30 0 0 0 0 0 0 0 0999 V2000 -2.3111 3.1921 0.0611 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 2.0895 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 2.0355 0.3416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 0.9039 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6267 0.9356 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3263 -0.2297 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6849 -0.2100 0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 -0.1232 -0.3249 S 0 0 0 0 0 6 0 0 0 0 0 0 4.1015 -0.1504 -1.6696 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7628 -1.2764 -0.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6554 1.3076 -0.2053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 -1.4489 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3163 -1.5024 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -0.3129 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 -0.2869 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -1.4335 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -1.4009 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -0.1853 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7733 0.9827 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 0.9302 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 1.9209 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 2.0232 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 -2.3308 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1358 -2.4622 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 -2.3820 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -2.3527 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5584 -0.1527 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 1.9198 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 6 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 2 1 0 14 4 1 0 20 15 1 0 5 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 16 25 1 0 17 26 1 0 18 27 1 0 19 28 1 0 M END