65552 -OEChem-02112015293D 30 31 0 0 0 0 0 0 0999 V2000 0.1585 -1.4969 -3.0518 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -1.5010 3.0513 I 0 0 0 0 0 0 0 0 0 0 0 0 -6.1486 -0.7195 -0.0017 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 3.5145 0.0053 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -1.8016 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6965 2.1714 0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 1.6444 0.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 2.1191 -0.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -0.6289 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 -1.4156 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 -0.2073 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4479 -0.8250 -1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -0.8262 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 -1.2184 -1.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1121 -1.2195 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 -0.8060 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 0.5189 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 -1.1575 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -0.1532 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3952 1.5234 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7491 1.1874 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7356 1.2972 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 -0.6140 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -0.6150 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 -0.6660 -2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -0.6681 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 0.8313 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 -2.2084 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5749 1.7538 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1694 2.6179 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 21 1 0 0 0 0 6 29 1 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 M END > DB01751 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PPJYSSNKSXAVDB-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 > InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) > PPJYSSNKSXAVDB-UHFFFAOYSA-N > C14H8I4O4 > 747.8288 > 747.660132424 > 3 > 30 > -0.005455050350627758 > 45.756353829510154 > 0 > 2 > 0 > 0 > 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid > 4.99 > 6.52349388 > -5.18 > 0 > -1 > 2 > -1 > 7.43111101613088 > 2.2464967561667373 > -3.7398424024002885 > 66.76 > 119.03730000000002 > 4 > 0 > 4.89e-03 g/l > tetraiodothyroacetic acid > 0 $$$$