HMDB0240740 RDKit 3D Isatin 16 17 0 0 0 0 0 0 0 0999 V2000 3.6810 0.5857 -0.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 0.3857 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 1.3985 -0.1806 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1944 0.7368 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 1.2414 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 0.3790 0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 -0.9951 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -1.4896 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -0.6317 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.8985 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 -2.0356 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 2.4283 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1944 2.3145 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 0.7861 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 -1.6403 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 -2.5653 0.1041 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 10 2 1 0 9 4 1 0 3 12 1 0 5 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 M END