HMDB0240734 RDKit 3D Taurodeoxycholic acid 3-glucuronide 99103 0 0 0 0 0 0 0 0999 V2000 4.4074 0.5606 2.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4318 0.0901 1.0274 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6512 0.5860 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9265 0.1265 0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 0.6871 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 1.3911 -0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4077 0.4642 0.4436 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4928 1.0042 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8392 0.6390 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1455 1.3357 -0.7945 S 0 0 0 0 0 6 0 0 0 0 0 0 13.0505 2.8261 -0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4910 0.9738 -0.2411 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0340 0.7476 -2.3739 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 0.4346 0.3345 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1859 -0.0153 -1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 -0.3230 -1.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9901 0.0904 -0.3501 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3551 -0.5222 -0.1977 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1916 -0.2729 -1.4296 C 0 0 0 0 0 0 0 0 0 0 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10 13 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 27 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 23 37 1 0 37 38 1 0 38 39 1 0 39 40 1 1 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 1 45 14 1 0 45 17 1 0 41 18 1 0 39 21 1 0 35 25 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 1 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 13 60 1 0 14 61 1 6 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 6 18 67 1 1 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 21 72 1 6 22 73 1 0 22 74 1 0 23 75 1 1 25 76 1 0 27 77 1 0 30 78 1 0 31 79 1 0 32 80 1 0 33 81 1 0 34 82 1 0 35 83 1 0 36 84 1 0 37 85 1 0 37 86 1 0 38 87 1 0 38 88 1 0 40 89 1 0 40 90 1 0 40 91 1 0 41 92 1 6 42 93 1 0 42 94 1 0 43 95 1 1 44 96 1 0 46 97 1 0 46 98 1 0 46 99 1 0 M END