HMDB0012622 RDKit 3D 2-Hydroxyestrone sulfate 47 50 0 0 0 0 0 0 0 0999 V2000 -4.2280 -0.9124 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0027 -0.3318 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -1.4528 -0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -0.9148 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2202 0.2840 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.1338 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 -0.7920 -1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 -1.2314 -0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -1.8966 -1.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 -1.0104 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0456 -1.4188 0.6685 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -0.3457 0.3625 S 0 0 0 0 0 6 0 0 0 0 0 0 7.1680 -0.9662 -0.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1141 -0.2090 1.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7692 1.1599 -0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 -0.3571 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 0.0851 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 0.7922 2.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 0.4088 1.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 0.9141 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 0.8242 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 2.0629 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8498 1.6286 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4367 0.2246 -1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 -0.3549 -2.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9273 -0.0919 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7327 -1.6075 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 -1.5035 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 -2.0313 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -2.1698 -1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 -0.7241 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 -1.7956 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 1.0283 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4971 -0.9827 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 -2.0796 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0876 1.4354 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -0.1729 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 1.8904 2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 0.4543 3.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 0.9251 2.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -0.6673 2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 2.0079 0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8461 0.7497 1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 2.8057 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 2.5796 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9407 1.6825 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 2.2108 -2.1445 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 10 16 1 0 16 17 2 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 2 0 21 2 1 0 24 2 1 0 20 5 1 0 17 6 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 7 34 1 0 9 35 1 0 15 36 1 0 16 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 M END