4764 -OEChem-10051720433D 38 41 0 0 0 0 0 0 0999 V2000 0.0681 -0.6796 1.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -2.6912 2.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 2.6214 -0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 3.1224 -0.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -0.1860 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 -1.4870 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 0.5706 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 0.7058 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.5480 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -2.0407 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -1.7366 -1.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 1.6478 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 1.3655 -1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 0.1850 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 0.8614 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 -3.8691 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 -3.0612 -2.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -4.1214 -1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 2.3365 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 2.1772 -1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 0.8736 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 1.6731 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 1.9494 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 2.3310 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 -0.9351 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 1.9627 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 1.2764 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 -0.6456 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 0.3652 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -4.6838 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -3.2721 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 -5.1442 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 3.1733 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 2.6874 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 0.5617 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 1.7887 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4043 2.2202 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 3.4974 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 23 1 0 0 0 0 3 37 1 0 0 0 0 4 24 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 14 21 2 0 0 0 0 14 28 1 0 0 0 0 15 22 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 M END > DB04824 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KJFMBFZCATUALV-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1 > InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H > KJFMBFZCATUALV-UHFFFAOYSA-N > C20H14O4 > 318.3228 > 318.089208936 > 3 > 38 > -0.008648028634373148 > 32.65116143136198 > 1 > 2 > 0 > 1 > 3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one > 4.41 > 4.353301456333334 > -4.51 > 0 > 0 > 4 > 0 > 9.759493314012811 > 9.157433300427105 > -5.95985547691218 > 66.76 > 91.03730000000003 > 2 > 1 > 9.92e-03 g/l > biotin > 0 $$$$