21439 -OEChem-10051720083D 18 18 0 0 0 0 0 0 0999 V2000 2.6266 0.6190 0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 -2.1232 -0.1097 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4849 0.3006 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -0.9628 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 0.4667 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 1.4363 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -1.0905 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6922 1.3087 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 0.0452 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -0.3632 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 1.3678 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 2.4274 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8937 -2.0689 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3217 2.1929 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3181 -0.0541 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 -2.0666 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2982 -3.0273 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5685 0.7472 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END > DB03058 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VYFOAVADNIHPTR-UHFFFAOYSA-N/SDF?record_type=3d > NC1=CC=CC=C1CO > InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2 > VYFOAVADNIHPTR-UHFFFAOYSA-N > C7H9NO > 123.1525 > 123.068413915 > 2 > 18 > 0.00035400199782630005 > 13.211142043025006 > 1 > 2 > 0 > 0 > (2-aminophenyl)methanol > -0.13 > 0.37697009466666653 > -0.43 > 0 > 0 > 1 > 0 > 14.988885144210842 > 3.549171957538621 > 46.25 > 37.5743 > 1 > 1 > 4.62e+01 g/l > tetrahydrofolic acid > 0 $$$$