4888 -OEChem-10061700243D 32 34 0 1 0 0 0 0 0999 V2000 1.8431 -1.4625 -0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 0.9453 -0.5065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5034 1.2004 -1.5223 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -0.9462 -0.3082 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 0.1936 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 1.3050 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1952 -0.5747 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 -0.2863 0.4102 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5251 -1.1098 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 0.4545 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5128 0.8403 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 -1.8716 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 -2.1404 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 -0.4897 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 0.2576 1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 1.7408 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1855 0.6884 -0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8817 1.2988 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 -0.0432 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 2.0759 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 1.7421 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -1.2175 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 1.4695 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -2.6852 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 -3.1548 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6222 -0.3889 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6301 1.2681 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1099 0.3045 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 2.7902 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 1.9839 0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 -0.4418 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8357 1.5742 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 32 1 0 0 0 0 3 17 2 0 0 0 0 4 14 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 10 23 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB13514 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TVQZAMVBTVNYLA-UHFFFAOYSA-N/SDF?record_type=3d > CC(C(O)=O)C1=CC2=C(OC3=C(C2)C=CC=N3)C=C1 > InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18) > TVQZAMVBTVNYLA-UHFFFAOYSA-N > C15H13NO3 > 255.2686 > 255.089543287 > 3 > 32 > -0.9989917181141773 > 26.857292482306768 > 1 > 1 > 0 > 1 > 2-{5H-chromeno[2,3-b]pyridin-7-yl}propanoic acid > 2.54 > 2.9440625302755477 > -2.39 > 0 > -1 > 3 > -1 > 3.6293612841748346 > 2.236534570729297 > 59.42 > 70.01670000000001 > 2 > 1 > 1.03e+00 g/l > biotin > 0 $$$$