4760 -OEChem-10051719163D 27 29 0 0 0 0 0 0 0999 V2000 0.2167 -2.1504 1.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1495 2.5043 0.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 0.2051 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 -1.0243 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 1.3220 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7028 -0.6294 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 0.7359 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7045 0.0396 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 -1.4211 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7412 1.3682 -0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 0.6884 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -0.7651 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 -0.7988 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 0.5825 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 0.5335 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 -0.9198 -1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1075 -0.2705 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5754 0.4003 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -2.4840 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7296 2.4316 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8364 1.3191 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -1.2724 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 -1.3869 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 1.0420 -1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9568 1.0396 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9921 -1.5423 -2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 -0.3901 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END > DB00498 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NFBAXHOPROOJAW-UHFFFAOYSA-N/SDF?record_type=3d > O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1 > InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H > NFBAXHOPROOJAW-UHFFFAOYSA-N > C15H10O2 > 222.2387 > 222.068079564 > 2 > 27 > -0.9917144316351172 > 23.237980906604285 > 1 > 0 > 0 > 1 > 2-phenyl-2,3-dihydro-1H-indene-1,3-dione > 3.10 > 2.880905264666666 > -3.98 > 0 > -1 > 3 > -1 > 4.921935672218049 > -7.504803642387958 > 34.14 > 65.23350000000002 > 1 > 1 > 2.30e-02 g/l > tetrahydrofolic acid > 1 $$$$