439260 -OEChem-10051719133D 23 23 0 1 0 0 0 0 0999 V2000 2.3618 0.0602 -1.5274 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1939 2.0747 -0.0553 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -0.2830 0.2306 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 0.3312 0.7225 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9844 -0.4416 -0.2384 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4990 -0.3964 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 0.3826 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 0.8295 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 -1.5798 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5555 0.8718 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6146 -1.5375 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -0.3117 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 -1.4796 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3999 0.0152 1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 1.4381 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 1.7595 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 -2.5427 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -2.4670 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 0.0426 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4561 -0.6347 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5701 0.8359 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 1.9163 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9665 -1.1935 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 M END > DB00368 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SFLSHLFXELFNJZ-QMMMGPOBSA-N/SDF?record_type=3d > NC[C@H](O)C1=CC(O)=C(O)C=C1 > InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 > SFLSHLFXELFNJZ-QMMMGPOBSA-N > C8H11NO3 > 169.1778 > 169.073893223 > 4 > 23 > 0.9804874329635772 > 16.95880867290888 > 1 > 4 > 0 > 0 > 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol > -1.40 > -0.6835133951859954 > -1.13 > 0 > 1 > 1 > 1 > 12.65275638508942 > 9.500884650011601 > 8.84847263942599 > 86.71 > 44.4557 > 2 > 1 > 1.25e+01 g/l > tetrahydrofolic acid > 0 $$$$