91469 -OEChem-10051722323D 32 34 0 1 0 0 0 0 0999 V2000 1.4328 1.7860 0.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8728 0.1418 0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0625 -0.4123 0.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4885 0.3529 -0.3919 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3065 -0.9213 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 1.4948 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -0.6256 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 0.1485 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 0.6888 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 -1.6788 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8348 0.2981 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 -0.1895 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6265 0.9454 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -1.4210 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 -0.1095 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2074 0.1092 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -0.3784 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -0.2289 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 0.6104 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -1.3437 0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 -1.6818 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 2.4130 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 1.2832 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 -2.7068 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4483 0.5612 -2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8451 -0.3065 1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 1.9679 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 -2.2526 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8645 0.2286 -2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -0.6405 2.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -0.7022 -0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5024 -0.2692 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 31 1 0 0 0 0 3 18 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 24 1 0 0 0 0 11 16 1 0 0 0 0 11 25 1 0 0 0 0 12 17 2 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 M END > DB11674 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ADFCQWZHKCXPAJ-GFCCVEGCSA-N/SDF?record_type=3d > OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2 > InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1 > ADFCQWZHKCXPAJ-GFCCVEGCSA-N > C15H14O3 > 242.2699 > 242.094294314 > 3 > 32 > -0.0030249952910723706 > 25.814472608961456 > 1 > 2 > 0 > 1 > (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol > 2.91 > 3.1916778773333334 > -3.74 > 0 > 0 > 3 > 0 > 10.310681940578428 > 9.632070985862319 > -4.855539683956429 > 49.69 > 68.96020000000001 > 1 > 1 > 4.45e-02 g/l > tetrahydrofolic acid > 0 $$$$