HMDB0253290 RDKit 3D Hydroxyrubicin 67 71 0 0 0 0 0 0 0 0999 V2000 5.8393 -3.8515 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -2.7702 -0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4382 -1.4807 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7982 -1.1656 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 0.1320 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 1.1224 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 0.7903 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -0.4852 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 -0.8534 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 -2.0590 -0.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1161 0.1363 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7735 -0.2049 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 -1.4738 -0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 0.8062 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2706 2.0970 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 2.4437 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 3.7457 0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 1.4695 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9405 1.8055 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 2.9885 0.2767 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7959 3.0705 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7366 2.5134 1.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 3.3546 1.9557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 2.6865 3.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 2.0880 3.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 3.6205 4.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 3.6875 5.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 1.0959 1.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5613 0.4458 0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -0.8862 0.5075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 -1.2248 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0747 -1.6174 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0886 -1.9140 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3592 -0.7333 -1.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5135 -2.9749 -1.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3325 -3.1191 -2.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 -2.6576 -2.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 -1.7921 -3.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 -2.2200 -1.3103 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5378 -4.0234 -0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4498 -3.5652 -2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -4.7412 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 -1.9562 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2523 0.3228 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 2.1519 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8015 -2.2762 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7299 4.2196 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 4.0069 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 3.2299 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 3.5467 1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 3.2997 4.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 4.6661 3.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 4.0920 6.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 0.5048 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2614 1.0550 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 0.9322 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -0.2870 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 -2.4257 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 -0.7202 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0121 -2.2978 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1166 -0.2589 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5413 -3.9430 -1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9434 -3.7465 -3.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7033 -3.6489 -2.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5526 -2.3850 -4.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -0.9203 -3.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 -1.4482 -3.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 15 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 22 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 8 3 1 0 18 11 1 0 39 31 1 0 19 7 1 0 29 14 1 0 1 40 1 0 1 41 1 0 1 42 1 0 4 43 1 0 5 44 1 0 6 45 1 0 13 46 1 0 17 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 26 51 1 0 26 52 1 0 27 53 1 0 28 54 1 0 28 55 1 0 29 56 1 0 31 57 1 0 32 58 1 0 32 59 1 0 33 60 1 0 34 61 1 0 35 62 1 0 36 63 1 0 37 64 1 0 38 65 1 0 38 66 1 0 38 67 1 0 M END