16750123 -OEChem-10051721043D 33 35 0 0 0 0 0 0 0999 V2000 6.5111 -0.1203 -2.2765 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 -0.6481 0.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 1.8711 -0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6319 3.0961 -0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8317 -2.7525 -0.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 -0.5683 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 0.6077 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -0.6174 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 0.6007 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -1.7842 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 -0.4547 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 0.6073 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -1.8075 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 0.3637 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8655 0.7518 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 0.2504 -0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 0.2484 1.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0829 2.0005 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 0.0215 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 0.0195 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2149 -1.5917 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2486 -0.0939 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1923 1.5656 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6289 -2.7492 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 1.1884 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 1.1909 -0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 -2.7628 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9426 0.8763 -0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 0.3375 -1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 0.3321 2.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 -0.0712 2.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2897 -1.3512 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3193 -0.2727 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 4 18 2 0 0 0 0 5 21 2 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END > DB07512 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZOCADHRNWNJARU-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1 > InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2 > ZOCADHRNWNJARU-UHFFFAOYSA-N > C17H11ClO4 > 314.72 > 314.034586547 > 3 > 33 > 1.3224473592927895e-12 > 31.281552848317098 > 1 > 0 > 0 > 1 > 7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromene-4-carbaldehyde > 4.05 > 3.286677094999999 > -4.96 > 0 > 0 > 3 > 0 > -4.873391076699217 > 52.60000000000001 > 82.50300000000001 > 4 > 1 > 3.46e-03 g/l > tetrahydrofolic acid > 0 $$$$