HMDB0041787 RDKit 3D Urolithin B 3-O-glucuronide 44 47 0 0 0 0 0 0 0 0999 V2000 4.4180 -2.4743 1.9745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 -2.0921 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 -2.7996 -0.0645 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 -0.9104 0.3097 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0618 -0.3056 1.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1925 0.5752 0.5828 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1531 0.9308 1.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 0.6199 1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 1.0446 2.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 0.7712 1.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 0.0672 0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 -0.3503 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -0.0801 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3973 -1.0267 -1.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 -1.3077 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0224 -1.9521 -2.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6556 -0.9098 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9718 -1.1941 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9257 -0.7798 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5691 -0.0606 1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 0.2313 1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2896 -0.1883 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 1.7597 0.0570 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1068 2.5502 -0.6736 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9774 1.1700 -0.9597 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7283 2.1586 -1.5568 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8091 0.1646 -0.2042 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7973 -0.4043 -1.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -3.5911 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1577 -1.1316 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 0.0084 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 1.5966 2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 1.1095 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0477 -0.4451 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2455 -1.7590 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9648 -1.0159 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3831 0.2251 1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9941 0.7831 2.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 2.2947 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 3.1767 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 0.5979 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 2.3851 -2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 0.6842 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6688 -0.1261 -0.6230 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 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 6 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 4 1 0 13 8 1 0 22 17 1 0 22 11 1 0 3 29 1 0 4 30 1 6 6 31 1 6 9 32 1 0 10 33 1 0 13 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 23 39 1 1 24 40 1 0 25 41 1 6 26 42 1 0 27 43 1 1 28 44 1 0 M END