HMDB0253461 RDKit 3D Indirubin-3'-monoxime 32 35 0 0 0 0 0 0 0 0999 V2000 0.3023 1.3527 -3.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 0.3951 -2.2983 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 0.2744 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4438 -0.1075 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -0.5504 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1075 -1.4112 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -1.9648 2.4098 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 -1.6067 1.9008 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -0.8874 0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 -0.7089 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8876 0.1080 -0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 0.7680 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 0.5828 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 -0.2246 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 -0.0970 0.9761 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 0.2682 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9807 0.4294 0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 0.8267 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 1.0709 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 0.9130 -1.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2797 0.5101 -0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6142 -2.5866 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8268 -2.1973 2.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0898 -1.2377 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9528 0.2084 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3045 1.4161 -1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 1.1232 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -0.3465 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 0.2375 1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9926 0.9550 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 1.3861 -2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9314 1.1012 -2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 4 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 3 1 0 14 5 1 0 21 16 1 0 14 9 1 0 7 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 15 28 1 0 17 29 1 0 18 30 1 0 19 31 1 0 20 32 1 0 M END