25058141 -OEChem-10051721203D 41 43 0 1 0 0 0 0 0999 V2000 0.1309 -0.2941 -1.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -1.9915 0.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -0.5021 0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 0.9704 0.0763 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 1.2921 -0.1430 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8686 2.3946 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 2.0916 2.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 1.5965 1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 0.1056 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 0.2240 -0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 0.0297 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 -0.9178 0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 0.0202 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5413 -1.0695 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 1.1136 -1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0216 -2.0172 1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2041 -2.0930 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 -1.0785 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 0.9432 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7818 -1.2542 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 0.7675 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 -0.3311 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6409 1.6903 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 3.3712 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 2.4373 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 1.3047 2.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6987 2.9653 2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 0.8871 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 2.4295 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -0.8891 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4659 -1.1450 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0939 0.9693 -2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4025 1.1232 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 2.0926 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7604 -2.8131 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 -2.9490 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 1.8033 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 -2.1125 1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 1.4901 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 -1.7778 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -1.3118 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 18 1 0 0 0 0 2 40 1 0 0 0 0 3 22 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 M END > DB08442 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TWODFUZHWYZBHZ-MRXNPFEDSA-N/SDF?record_type=3d > [H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C > InChI=1S/C18H19NO3/c1-12-5-2-3-6-14(12)16-7-4-10-19(16)18(22)15-9-8-13(20)11-17(15)21/h2-3,5-6,8-9,11,16,20-21H,4,7,10H2,1H3/t16-/m1/s1 > TWODFUZHWYZBHZ-MRXNPFEDSA-N > C18H19NO3 > 297.3484 > 297.136493479 > 3 > 41 > -0.09305295328580422 > 30.731671243260877 > 1 > 2 > 0 > 1 > 4-[(2R)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]benzene-1,3-diol > 2.79 > 4.017566641666667 > -3.59 > 0 > 0 > 3 > 0 > 9.407993786956858 > 8.0171688369691 > -1.5237014626211087 > 60.77000000000001 > 85.75659999999999 > 2 > 1 > 7.69e-02 g/l > biotin > 0 $$$$