70164 -OEChem-10051721233D 27 27 0 0 0 0 0 0 0999 V2000 2.0345 2.2712 -0.0687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 -2.4900 -0.3057 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -0.2358 -0.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 -0.7405 -0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9444 1.1860 0.7973 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.1409 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 1.1522 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 -1.2498 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8342 -0.1121 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 1.2787 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 -1.1233 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 0.2725 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.5245 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -3.1539 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -0.7206 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6273 2.2365 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -2.0245 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.6544 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 3.6115 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7012 3.7164 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 4.3029 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 -3.3197 1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -2.5730 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 -4.1243 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8362 -1.5851 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8447 0.1913 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8031 -0.7938 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 12 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > DB08589 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZMXJAEGJWHJMGX-UHFFFAOYSA-N/SDF?record_type=3d > COC(=O)C1=CC(OC)=C(O)C(OC)=C1 > InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3 > ZMXJAEGJWHJMGX-UHFFFAOYSA-N > C10H12O5 > 212.1993 > 212.068473494 > 4 > 27 > -0.035024915076083206 > 20.608602303476886 > 1 > 1 > 0 > 1 > methyl 4-hydroxy-3,5-dimethoxybenzoate > 1.84 > 1.3578149269999997 > -1.90 > 0 > 0 > 1 > 0 > 8.440139009291288 > -4.609976595460674 > 64.99000000000001 > 52.99060000000001 > 4 > 1 > 2.64e+00 g/l > tetrahydrofolic acid > 0 $$$$