5281793 -OEChem-05201911033D 58 60 0 1 0 0 0 0 0999 V2000 0.6001 2.5443 0.3246 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 5.1790 -1.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -0.3416 -0.8133 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8952 -2.4533 0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8809 5.2755 0.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1249 -2.3641 0.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3546 -0.8194 0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 3.4626 -1.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -3.5301 -2.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -4.8200 -0.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 2.7949 1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8531 3.1245 -0.0535 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4293 1.3918 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5495 1.1727 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 0.3496 1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 -0.3916 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8153 0.9866 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6487 4.6222 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0476 -0.1234 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -0.9465 1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 -1.1830 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0545 -1.0099 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 1.6733 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9494 1.7602 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 -1.2249 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4392 2.7998 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -0.2363 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6366 2.1258 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1359 1.1486 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7751 -1.5879 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -2.4261 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 -2.5812 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 -3.0749 1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 -3.3848 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -3.8786 1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -4.0336 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 2.9144 2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 3.5017 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 2.7240 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 2.0009 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9177 0.5234 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 -1.7610 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 1.8199 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9275 2.8412 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6224 -1.5603 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 1.9693 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 1.7633 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 -1.2471 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -2.0763 -1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 -2.9659 2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 6.1495 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 0.5055 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6175 -4.3777 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6753 -2.4325 -0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0263 -2.5952 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0285 -0.1290 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -4.1173 -2.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0138 -5.1809 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 26 1 0 0 0 0 2 18 1 0 0 0 0 2 51 1 0 0 0 0 3 19 1 0 0 0 0 3 52 1 0 0 0 0 4 21 1 0 0 0 0 4 54 1 0 0 0 0 5 18 2 0 0 0 0 6 22 1 0 0 0 0 6 55 1 0 0 0 0 7 27 1 0 0 0 0 7 56 1 0 0 0 0 8 26 2 0 0 0 0 9 34 1 0 0 0 0 9 57 1 0 0 0 0 10 36 1 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 18 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 14 40 1 0 0 0 0 15 20 2 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 23 43 1 0 0 0 0 24 29 2 0 0 0 0 24 44 1 0 0 0 0 25 30 2 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 49 1 0 0 0 0 33 35 2 0 0 0 0 33 50 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 53 1 0 0 0 0 M END > DB15246 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YMGFTDKNIWPMGF-UCPJVGPRSA-N/SDF?record_type=3d > OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=C(/C=C/C2=CC(O)=C(O)C=C2)C(O)=C(O)C=C1 > InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 > YMGFTDKNIWPMGF-UCPJVGPRSA-N > C26H22O10 > 494.452 > 494.121296908 > 9 > 58 > 48.66852272414588 > 1 > 7 > 0 > 0 > (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-{2-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}prop-2-enoyl]oxy}propanoic acid > 3.58 > 4.736836672999999 > -4.76 > 1 > 3 > -1 > 8.440707726002948 > 3.1444270783656405 > -6.289161667388829 > 184.98 > 130.36669999999998 > 9 > 0 > 8.67e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$