HMDB0253770 RDKit 3D 3,4-Dihydro-9-hydroxy-[1]benzothieno[2,3-f]-1,4-thiazepin-5(2H)-one 25 27 0 0 0 0 0 0 0 0999 V2000 -2.1814 2.9273 1.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 1.6795 0.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 0.9482 0.6224 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 -0.4506 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 -0.6862 -1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1217 -0.7672 -1.3443 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1567 0.2433 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 1.2108 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 1.8366 1.5124 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.8594 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2133 0.7685 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -0.1430 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -0.9400 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -1.8726 -1.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 -0.8683 -0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 0.0648 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 1.4637 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 -1.1290 0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 -0.6912 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 -1.6633 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3294 0.0619 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 1.4379 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 -0.2450 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -2.4929 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -1.5526 -1.4430 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 8 2 1 0 16 10 1 0 16 7 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 11 22 1 0 12 23 1 0 14 24 1 0 15 25 1 0 M END