7172 -OEChem-10051722053D 25 25 0 1 0 0 0 0 0999 V2000 -1.5330 2.3573 -0.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -0.8716 -0.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4467 -1.1713 0.4072 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 1.0957 0.3086 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4828 0.1224 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.5759 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 0.4080 1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 0.2569 -1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 -0.0786 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7592 -0.2299 -1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.3975 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 -2.0672 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6718 1.2886 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 -0.0022 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 0.5785 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 0.6515 2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.3911 -1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 -1.0382 1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 -0.2047 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 -0.4742 -2.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 2.6791 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4661 -1.6664 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -3.0303 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2867 -2.2577 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -0.9237 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > DB09203 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YRCWQPVGYLYSOX-UHFFFAOYSA-N/SDF?record_type=3d > CNCC(O)C1=CC=C(O)C=C1 > InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 > YRCWQPVGYLYSOX-UHFFFAOYSA-N > C9H13NO2 > 167.205 > 167.094628665 > 3 > 25 > 0.9895760162189553 > 18.22536589166291 > 1 > 3 > 0 > 1 > 4-[1-hydroxy-2-(methylamino)ethyl]phenol > -0.62 > -0.07095160063361262 > -0.95 > 0 > 1 > 1 > 1 > 14.27078147739965 > 9.755471273972516 > 9.14815345799689 > 52.49 > 47.24940000000001 > 3 > 1 > 1.86e+01 g/l > tetrahydrofolic acid > 0 $$$$