HMDB0240568 RDKit 3D Urolithin a 8-glucuronide 45 48 0 0 0 0 0 0 0 0999 V2000 -3.2215 -2.4358 -0.2405 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3022 -1.8704 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4699 -2.4257 -0.4435 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3831 -0.6516 0.8923 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1682 -0.1988 1.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 0.2812 0.3081 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3348 -0.6095 -0.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -0.4391 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 0.6871 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 0.8377 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 -0.1768 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 -1.3305 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -1.4844 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -2.3397 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 -3.3831 -1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -2.2250 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 -1.1352 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3296 -1.0588 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 0.0767 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 0.1684 0.6171 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 1.1591 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 1.0811 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1903 -0.0481 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1474 0.7507 -0.8924 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3517 1.7011 -1.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3577 1.4735 -0.3395 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0054 2.2204 -1.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2561 0.4151 0.2672 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1509 0.9640 1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2868 -2.5279 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9382 -0.9732 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 1.2033 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 1.5280 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.7493 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 -2.3943 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9028 -1.9175 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7247 -0.1580 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7099 2.0158 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 1.9222 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 -0.0470 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2165 2.5089 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9911 2.1017 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5475 3.0828 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 -0.0566 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0667 1.9590 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 6 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 4 1 0 13 8 1 0 23 17 1 0 23 11 1 0 3 30 1 0 4 31 1 1 6 32 1 1 9 33 1 0 10 34 1 0 13 35 1 0 18 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 24 40 1 6 25 41 1 0 26 42 1 1 27 43 1 0 28 44 1 6 29 45 1 0 M END