776315 -OEChem-10051721023D 26 27 0 0 0 0 0 0 0999 V2000 1.3286 -0.5356 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 1.7724 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7661 0.4862 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -1.6243 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.3416 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2661 0.3051 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 0.4090 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0882 -1.7351 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 1.6133 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 0.2510 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 -0.2339 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 1.5808 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -2.3780 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5018 -1.6274 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7075 -0.3891 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4267 2.4473 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -2.3581 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0692 2.5099 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3952 0.2784 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7564 2.4276 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -3.4630 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 -2.1294 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 2.2396 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 2.2398 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 3.5215 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 0.0132 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > DB07407 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CHWVDGYLKPLBES-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(C=CC=C1)C1=CC=C(O1)C(O)=O > InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14) > CHWVDGYLKPLBES-UHFFFAOYSA-N > C12H10O4 > 218.2054 > 218.057908808 > 3 > 26 > -0.99986514370239 > 21.844015468636833 > 1 > 1 > 0 > 1 > 5-(2-methoxyphenyl)furan-2-carboxylic acid > 2.81 > 2.1006305879999996 > -3.25 > 0 > -1 > 2 > -1 > 3.1299337738015414 > -3.1082689125313108 > 59.67 > 57.181999999999995 > 3 > 1 > 1.23e-01 g/l > tetrahydrofolic acid > 0 $$$$