HMDB0240743 RDKit 3D Indirubin 30 33 0 0 0 0 0 0 0 0999 V2000 -0.6782 -3.3668 -0.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -2.2891 -0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7006 -2.2690 -0.3233 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 -0.9271 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 -0.4870 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 0.8694 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 1.7271 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 1.2768 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.0679 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8704 -0.9016 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 -0.5083 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 0.8325 -0.0319 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3143 0.7885 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 1.8465 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5741 1.5696 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 0.2674 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 -0.7681 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7263 -0.5074 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -1.3750 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -2.5958 -0.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 -3.1219 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3006 -1.1729 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 1.2295 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 2.8159 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 2.0050 0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.7198 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 2.8667 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 2.3407 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0402 -0.0123 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 -1.7852 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 10 2 1 0 19 11 1 0 9 4 1 0 18 13 1 0 3 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 12 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 M END