HMDB0006247 RDKit 3D 25-Hydroxycholesterol 75 78 0 0 0 0 0 0 0 0999 V2000 2.6394 0.0739 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 0.4017 0.0911 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2857 -0.7303 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7134 -0.9656 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 0.1830 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0081 -0.2944 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4473 -1.4983 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8403 -0.6832 -1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 0.6970 0.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 0.9226 0.6674 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0244 2.2123 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 1.8869 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 0.4152 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 0.0322 -0.7252 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4907 0.4704 -2.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 0.0687 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6607 -0.1444 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0865 -0.5465 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0425 0.1933 -0.3854 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2202 -0.5733 -0.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 0.2609 1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 0.8925 1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1485 -0.0041 0.3293 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1697 -1.3838 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 0.5814 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 0.4394 1.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.8383 1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 0.1727 0.6913 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2070 -1.2676 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2914 -0.9609 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6933 0.0984 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 0.7759 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3721 1.2657 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 -1.6896 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -0.5989 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1644 -1.8326 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -1.3066 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 1.0835 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 0.3765 1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 -2.4609 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0709 -1.4644 1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5624 -1.5028 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 -0.0321 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -1.7176 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -0.5782 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4062 0.6504 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.2516 1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 2.5569 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 3.0595 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1073 2.4763 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 2.1609 -1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 -0.2227 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -1.0798 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3781 1.5710 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 -0.0782 -2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3432 -0.0501 -3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3978 -0.3395 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1973 -1.6626 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2924 1.1810 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0352 -1.4112 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2165 0.8841 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5216 -0.7678 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8477 1.0580 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2003 1.8425 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0541 -1.9529 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 -1.3138 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 -1.9154 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 1.6891 0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 1.2002 2.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 -0.5280 2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3105 0.5785 2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 1.9417 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 -1.3769 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 -1.5506 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -1.9583 0.2444 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 1 0 6 7 1 0 6 8 1 0 6 9 1 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 10 1 0 28 13 1 0 25 14 1 0 23 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 6 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 7 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 10 47 1 1 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 14 53 1 6 15 54 1 0 15 55 1 0 16 56 1 0 18 57 1 0 18 58 1 0 19 59 1 6 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 24 65 1 0 24 66 1 0 24 67 1 0 25 68 1 0 26 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 M END