5281614 -OEChem-10051721093D 31 33 0 0 0 0 0 0 0999 V2000 -0.5692 -0.7563 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 2.7213 -0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 3.0029 -0.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 -2.7210 0.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4771 -0.7346 -2.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -0.9056 0.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 0.3635 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 0.6811 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9262 -0.5768 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 0.0303 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1957 1.6305 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6559 1.8729 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 0.8034 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 -1.7226 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -0.1978 -0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -0.0571 1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1098 -1.6047 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7012 -0.3441 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -0.5127 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -0.3724 1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3937 -0.6001 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 1.7759 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -2.7057 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 -0.1324 -1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7449 0.1175 2.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7818 -0.2424 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1394 -0.4387 2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 2.4278 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 -2.4547 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 -1.2665 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1615 -0.6940 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 12 2 0 0 0 0 4 17 1 0 0 0 0 4 29 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 21 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 13 18 2 0 0 0 0 13 22 1 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 M END > DB07795 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XHEFDIBZLJXQHF-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 > InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H > XHEFDIBZLJXQHF-UHFFFAOYSA-N > C15H10O6 > 286.2363 > 286.047738052 > 6 > 31 > -0.8639860573004826 > 27.63536387895102 > 1 > 4 > 0 > 1 > 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one > 2.03 > 1.8098647856666665 > -3.28 > 0 > -1 > 3 > -1 > 8.481610772232772 > 6.3180160019747795 > -3.856247726581812 > 107.22000000000001 > 74.88130000000001 > 1 > 1 > 1.51e-01 g/l > tetrahydrofolic acid > 0 $$$$