HMDB0246469 RDKit 3D 4-Hydroxytoremifene 58 60 0 0 0 0 0 0 0 0999 V2000 6.6483 1.6596 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 0.2871 1.4253 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7779 -0.1907 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 -0.5878 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 -0.3553 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8212 -0.5839 0.8354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -0.4581 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 -0.6980 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -0.5698 1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 -0.1970 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -0.0981 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 -1.1587 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -2.4330 0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -3.6456 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 -5.0519 0.6272 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 -0.9692 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6121 -1.7342 -1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9777 -1.4834 -1.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5692 -0.4884 -0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 0.2972 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5205 0.0365 0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 1.1517 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 2.3298 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3882 3.5265 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 3.5701 -1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6039 4.7996 -2.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 2.3987 -2.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 1.1617 -1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6412 0.0544 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 -0.0810 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2464 2.3151 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 1.9219 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 1.8456 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6329 0.2469 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.0156 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8496 -1.2988 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1571 -1.6254 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 -0.5952 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 -1.1669 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6037 0.6431 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -0.9971 2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4843 -0.7640 2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 -2.4540 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 -2.5414 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1056 -3.6659 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4896 -3.8086 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 -2.5063 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5181 -2.1167 -1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6321 -0.2980 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3694 1.0730 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 0.6613 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 2.2568 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1548 4.4215 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1657 4.8448 -2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9954 2.3851 -3.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 0.2572 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2614 0.3487 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 0.1133 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 3 12 13 1 0 13 14 1 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 10 29 1 0 29 30 2 0 30 7 1 0 21 16 1 0 28 22 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 8 41 1 0 9 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 23 52 1 0 24 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 M END