HMDB0015132 RDKit 3D Doxorubicin 68 72 0 0 0 0 0 0 0 0999 V2000 5.3009 -4.9708 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 -3.7920 0.4687 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 -2.7956 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4228 -2.9042 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9768 -1.8804 -1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 -0.7340 -1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -0.6149 -1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -1.6442 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -1.5595 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.4914 0.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -0.3621 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 -0.2649 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -1.3310 0.9285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 0.8577 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 1.8942 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 1.7968 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 2.7995 -2.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 0.6473 -1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2064 0.5834 -1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 1.5350 -2.2302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 3.0910 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 3.5239 0.3406 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3239 4.2231 1.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 4.4473 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 4.1143 -0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6657 5.8718 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 6.2088 1.0844 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 2.3724 1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 1.0950 0.4030 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7046 0.0240 0.9226 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -0.5508 0.2830 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6121 -1.9543 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 -2.4895 -0.6451 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4039 -1.7256 -1.7942 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9048 -2.4430 0.5045 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1756 -2.0099 0.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4322 -1.5222 1.5942 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4865 -1.2110 2.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 -0.3642 1.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -5.7244 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7006 -5.3665 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 -4.6803 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9883 -3.8164 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9827 -1.9950 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6714 0.0904 -2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2758 -1.5660 1.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 3.6445 -2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5602 3.9357 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 2.9090 -1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 4.0793 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 6.2145 0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 6.4693 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 6.9808 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 2.2350 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 2.6546 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 1.3317 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 0.0913 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 -1.9980 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 -2.6473 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 -3.5273 -0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8386 -0.8296 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9804 -2.3436 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 -3.4797 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 -2.7081 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6107 -2.0783 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4966 -1.3018 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3873 -0.1731 2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4193 -1.8703 3.5183 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 1 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 6 31 57 1 6 32 58 1 0 32 59 1 0 33 60 1 6 34 61 1 0 34 62 1 0 35 63 1 1 36 64 1 0 37 65 1 1 38 66 1 0 38 67 1 0 38 68 1 0 M END