5289613 -OEChem-10051720013D 27 28 0 0 0 0 0 0 0999 V2000 0.5787 -1.5426 0.2473 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -0.0814 -0.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 -0.6556 -0.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 -1.9684 0.4664 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 1.9639 0.6729 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 0.7479 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -0.6102 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 1.1899 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 0.2995 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 1.6414 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -1.0987 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 -1.1499 0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9747 -0.2007 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7141 1.1662 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 0.8429 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 0.2978 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 -0.8421 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.2548 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 2.7095 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -2.1646 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 1.8691 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 0.5180 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 1.1911 -0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5026 -0.5859 -0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1052 -1.0850 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 -1.7475 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 -1.6233 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 27 1 0 0 0 0 4 12 2 0 0 0 0 5 15 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 M END > DB02728 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IETDBZQIWIJQJG-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)C1=CC2=CC=C(O)C=C2OC1=O > InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3 > IETDBZQIWIJQJG-UHFFFAOYSA-N > C12H10O5 > 234.2048 > 234.05282343 > 3 > 27 > -0.17541652480517125 > 22.58852396589818 > 1 > 1 > 0 > 1 > ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate > 2.34 > 1.8030727259999995 > -2.46 > 0 > 0 > 2 > 0 > 7.6721641243059775 > -6.9592080791066895 > 72.83000000000001 > 59.121500000000005 > 3 > 1 > 8.06e-01 g/l > biotin > 0 $$$$