5287541 -OEChem-10051719523D 36 38 0 0 0 0 0 0 0999 V2000 4.6448 0.2878 -0.1922 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2474 1.7369 0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 3.0987 -0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 -1.0028 -0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 1.0405 1.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 0.9347 -1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1992 -0.4323 -0.2937 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 -1.9588 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 -1.6516 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0199 -1.0629 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 -0.4706 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7345 0.4306 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9803 1.0506 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4913 0.7760 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 -0.6772 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 0.4419 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 1.9625 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 -1.9279 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6841 0.3545 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 -2.0358 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -0.8948 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 -1.8999 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 -2.9959 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -2.5577 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 -1.4647 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -1.3923 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6485 -1.2177 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 0.9433 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1946 0.6108 -1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3977 0.7058 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1735 2.1294 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 -2.8577 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 1.2849 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 -3.0204 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -0.9694 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5463 -0.8978 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 M END > DB02292 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DSLPMJSGSBLWRE-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1 > InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) > DSLPMJSGSBLWRE-UHFFFAOYSA-N > C14H15NO5S > 309.338 > 309.067093285 > 4 > 36 > -0.0002247609940605095 > 30.666636676571287 > 1 > 1 > 0 > 1 > 6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-yl sulfamate > 2.76 > 1.9945301869999998 > -3.51 > 0 > 0 > 3 > 0 > 10.648181432368675 > -5.964509624413918 > 95.69000000000001 > 75.6966 > 2 > 1 > 9.67e-02 g/l > biotin > 0 $$$$