3779 -OEChem-10051719293D 32 32 0 1 0 0 0 0 0999 V2000 -0.9777 0.7590 -1.9523 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 1.4883 0.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4916 -1.1712 0.3411 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 0.5721 -0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 0.8367 -0.5536 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7554 0.0459 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 -0.1848 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 0.3013 -0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0595 -1.6543 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4688 0.4220 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6617 1.1506 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9613 -1.0258 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9474 0.6572 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 -1.5192 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 -0.6777 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 1.8966 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 0.0768 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7054 -0.9934 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 -0.1128 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 1.5548 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9435 -2.1743 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 -1.7744 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 -2.1864 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 1.4723 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2312 -0.1126 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7531 0.3747 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 2.1902 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -1.6937 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 1.0675 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -2.5590 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 2.3724 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 -0.4531 0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 15 1 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 M END > DB01064 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JWZZKOKVBUJMES-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)NCC(O)C1=CC(O)=C(O)C=C1 > InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 > JWZZKOKVBUJMES-UHFFFAOYSA-N > C11H17NO3 > 211.2576 > 211.120843415 > 4 > 32 > 0.9882075642294953 > 23.040744198970884 > 1 > 4 > 0 > 1 > 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol > -0.27 > 0.24020568214781188 > -1.56 > 0 > 1 > 1 > 1 > 12.652982295112578 > 9.814518857707053 > 8.960251879660621 > 72.72 > 58.39770000000001 > 4 > 1 > 5.86e+00 g/l > biotin > 0 $$$$