439246 -OEChem-10051720163D 32 34 0 1 0 0 0 0 0999 V2000 0.0447 -0.7890 -0.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 2.9394 -0.0655 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1136 1.8515 0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2929 -2.8906 -0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2197 -0.5953 -0.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.3322 0.3930 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2460 1.6333 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1517 0.0844 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0471 0.5970 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2358 1.8296 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -0.6441 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 0.6689 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -1.8163 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 -0.0407 1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -0.0184 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 -0.5072 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 -1.7467 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3355 -0.2692 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 -0.2468 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8856 -0.3721 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 0.3840 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 2.4841 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 1.6248 -1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -2.7841 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 0.0372 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 0.0645 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 -0.4618 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9672 -0.3660 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4839 -0.3278 -2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0694 1.6789 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 -2.6582 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -0.6383 -1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 17 1 0 0 0 0 4 31 1 0 0 0 0 5 20 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 18 1 0 0 0 0 14 25 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 M END > DB03467 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FTVWIRXFELQLPI-ZDUSSCGKSA-N/SDF?record_type=3d > [H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1 > InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 > FTVWIRXFELQLPI-ZDUSSCGKSA-N > C15H12O5 > 272.2528 > 272.068473494 > 5 > 32 > -0.12992285284559513 > 27.31257446768327 > 1 > 3 > 0 > 1 > (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one > 2.47 > 2.835108050333333 > -3.11 > 0 > 0 > 3 > 0 > 9.199182290760165 > 7.856156114596552 > -4.950228081125502 > 86.99000000000001 > 71.28980000000001 > 1 > 1 > 2.14e-01 g/l > tetrahydrofolic acid > 0 $$$$