HMDB0000433 RDKit 3D 1,3,7,12-Tetrahydroxycholan-24-oic acid 70 73 0 0 0 0 0 0 0 0999 V2000 4.8043 0.4178 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8096 0.6886 -0.8496 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4278 -0.0611 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 0.5653 0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4981 -0.1086 1.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9357 -1.0429 2.2667 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7596 0.2714 2.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4804 0.2040 -1.2754 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4438 -1.2868 -1.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -1.7889 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -0.6926 -0.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7346 -0.5879 0.2048 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4371 -1.9115 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 -2.6366 1.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 -1.7745 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 -0.3676 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 -0.2375 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5268 -0.5403 1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -1.9351 0.9911 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3841 0.0199 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0399 0.3339 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5379 -0.6587 -1.7084 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 0.5858 0.1922 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2165 1.9787 0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 0.4425 -0.4729 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9306 1.7376 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.6803 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5415 1.5782 -2.4947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 0.5584 -0.4879 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4774 0.9220 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2112 0.4079 -2.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5178 1.2552 -2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -0.5533 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8234 1.7806 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 -1.1042 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 0.0064 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4087 0.5405 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6901 1.6337 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8921 1.1662 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.6726 -2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3906 -1.7999 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 -1.5302 -2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -2.7682 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 -1.9203 0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1053 -0.6761 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 -0.2130 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 -2.5248 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0777 -3.5600 1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 -2.1039 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0211 -2.4336 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 -0.1029 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5464 0.7513 2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4638 -0.9919 2.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4738 -0.1457 1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8267 -2.2011 1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0371 0.9270 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 -0.7245 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 1.2600 -1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 -1.2636 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3239 2.0436 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 2.1377 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 2.7727 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 0.0378 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 2.3385 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 2.3166 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 2.6223 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9607 2.3727 -2.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 1.6501 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 0.0980 1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 1.4722 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 2 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 1 29 8 1 0 29 11 1 0 25 12 1 0 23 16 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 1 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 7 39 1 0 8 40 1 6 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 6 12 46 1 1 13 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 24 60 1 0 24 61 1 0 24 62 1 0 25 63 1 6 26 64 1 0 26 65 1 0 27 66 1 0 28 67 1 0 30 68 1 0 30 69 1 0 30 70 1 0 M END