9818878 -OEChem-01221809573D 38 40 0 0 0 0 0 0 0999 V2000 0.6419 0.5292 0.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 2.6590 0.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 -0.2246 -0.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1862 -2.4095 -0.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 2.3085 0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 -3.2940 -0.1463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -0.0319 -2.1471 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 -0.9895 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 0.2922 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 1.4023 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 -1.1714 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5062 -0.5545 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -2.1421 -0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -0.0592 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 1.2249 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1112 -1.8340 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9325 -0.1873 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7067 0.0593 -0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5169 -0.0853 1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0523 0.4047 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8624 0.2600 1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 0.5049 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 3.0803 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 0.2580 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 -2.6634 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -0.2720 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6628 0.5985 -1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 0.3384 2.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 -2.3116 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6776 0.7738 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2149 3.1102 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 2.5352 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8946 2.9721 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 4.1421 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 0.2765 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4502 -0.4167 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9893 1.2534 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 0.1729 -2.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 24 1 0 0 0 0 4 11 1 0 0 0 0 4 29 1 0 0 0 0 5 15 1 0 0 0 0 5 31 1 0 0 0 0 6 13 2 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 30 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END > DB13983 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JWOKGWICZPPYPX-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=CC=C1O > InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-5-3-4-6-9(8)18)24-15(12)17(23-2)14(16)21/h3-7,18,20-21H,1-2H3 > JWOKGWICZPPYPX-UHFFFAOYSA-N > C17H14O7 > 330.292 > 330.073952791 > 7 > 38 > 32.333047449379976 > 1 > 3 > 0 > 1 > 5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxy-4H-chromen-4-one > 2.93 > 2.391346602333333 > -3.56 > 0 > 3 > -1 > 8.227124774359165 > 6.613571785438357 > -4.597587682240831 > 105.45 > 85.84030000000001 > 3 > 1 > 9.01e-02 g/l > 5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxychromen-4-one > 0 $$$$