656936 -OEChem-10051720553D 27 29 0 0 0 0 0 0 0999 V2000 0.3943 -0.9744 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5903 0.7000 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8425 -0.1192 -0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 0.6827 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 0.2163 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -0.6936 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6335 1.2626 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 0.1301 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 1.1680 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -1.6344 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 0.2459 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4679 1.2936 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -1.1181 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 -1.1297 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8602 1.2098 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7154 -1.2018 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -0.0378 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 2.3179 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4406 2.2371 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 -2.6996 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 2.2807 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 -2.0480 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8947 -1.8269 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 2.1199 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 -2.1797 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5811 1.6726 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1019 -1.0566 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 M END > DB07032 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNNNDCMXZYWCCI-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2 > InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H > SNNNDCMXZYWCCI-UHFFFAOYSA-N > C14H10O3 > 226.2274 > 226.062994186 > 2 > 27 > -0.009179329021316098 > 24.135527125546417 > 1 > 2 > 0 > 1 > 2-(4-hydroxyphenyl)-1-benzofuran-5-ol > 3.19 > 3.0924650589999993 > -3.30 > 0 > 0 > 3 > 0 > 9.734682411824156 > 9.13106883683453 > -2.90101179180164 > 53.60000000000001 > 63.8746 > 1 > 1 > 1.12e-01 g/l > tetrahydrofolic acid > 0 $$$$