4437 -OEChem-10051720343D 27 28 0 0 0 0 0 0 0999 V2000 -1.6445 2.8972 -0.0004 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3516 -2.2180 0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -0.7769 -0.0002 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 3.3440 -1.3426 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0924 2.9372 0.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 3.4505 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6176 -2.4445 1.4295 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4541 -1.5462 -0.7062 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -3.3860 -0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -0.8936 -1.4286 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1932 0.2467 0.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3278 -2.0581 0.7175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 0.7406 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 1.1921 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 -1.0835 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 -1.5499 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 -1.1026 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 1.6394 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7595 -0.1953 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 1.1731 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -2.6194 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 0.6222 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 -2.1730 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 2.7161 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 1.8963 -0.0174 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 15 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 16 1 0 0 0 0 3 10 1 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 3 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 M CHG 3 4 -1 7 -1 10 -1 M END > DB04409 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZPBSAMLXSQCSOX-UHFFFAOYSA-K/SDF?record_type=3d > [O-]S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O > InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3 > ZPBSAMLXSQCSOX-UHFFFAOYSA-K > C10H5O9S3 > 365.336 > 364.909568828 > 9 > 27 > -2.9999999992228332 > 30.294454509289096 > 1 > 0 > -3 > 1 > naphthalene-1,3,6-trisulfonate > -0.69 > 0.5054427226666667 > -3.07 > 0 > -3 > 2 > -3 > -2.6604565664944655 > -3.27396953913759 > 171.6 > 71.01060000000001 > 3 > 1 > 3.56e-01 g/l > biotin > 0 $$$$