HMDB0061149 RDKit 3D Hydroxyfluoroprednisolone butyrate 66 69 0 0 0 0 0 0 0 0999 V2000 5.4399 3.2931 -1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1041 1.8745 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 1.8152 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3727 0.4216 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -0.4540 -0.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 0.1141 0.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -1.2542 0.5357 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7670 -1.6705 1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -0.8196 1.9546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 -2.9792 2.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 -3.0036 3.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 -2.0090 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4308 -2.0328 -1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 -0.9178 -0.5217 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6246 -0.7400 -0.5848 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0159 -0.4681 -1.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 0.2711 -2.2001 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3946 0.8508 -3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 1.2772 -1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 2.4885 -1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1286 3.5030 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4706 4.6639 -0.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9724 3.1659 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 1.9341 1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3493 0.8512 0.2967 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3709 -0.2367 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 0.3644 0.4028 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1075 1.4560 0.2134 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -0.1730 1.7761 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1979 -1.3926 2.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.2665 1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 -1.2935 0.8847 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0571 -2.6619 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 3.4687 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0302 3.5518 -2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 4.0002 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 1.2245 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 1.5725 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 2.1437 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 2.5027 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 -3.8531 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 -3.1001 2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8664 -2.8901 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 -3.0193 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -1.4917 -1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 -2.9922 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 -1.9015 -2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 0.0228 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 -1.6689 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 -1.4604 -2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 0.0618 -2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -0.4952 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 1.0228 -3.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0166 2.7834 -2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 3.9000 1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5104 1.7317 2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 -1.2479 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1977 -0.2066 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8873 -0.0957 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 0.5655 2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 -1.2667 2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.4124 2.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2909 0.7405 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 -2.9869 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -2.7045 2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 -3.4709 1.0270 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 2 0 4 6 1 0 7 6 1 6 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 1 25 27 1 0 27 28 1 6 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 1 32 7 1 0 32 14 1 0 27 15 1 0 25 19 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 6 15 49 1 1 16 50 1 0 16 51 1 0 17 52 1 6 18 53 1 0 20 54 1 0 23 55 1 0 24 56 1 0 26 57 1 0 26 58 1 0 26 59 1 0 29 60 1 1 30 61 1 0 31 62 1 0 31 63 1 0 33 64 1 0 33 65 1 0 33 66 1 0 M END