667476 -OEChem-06131918533D 38 39 0 0 0 0 0 0 0999 V2000 -3.9398 2.9039 -0.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 2.9039 0.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6861 -1.6066 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -1.6066 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -0.4135 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -0.4135 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 -2.6639 0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -2.6642 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 0.5579 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 0.5578 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 -0.3072 -1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 -0.3072 1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 1.6803 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.6802 -0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 0.8152 -1.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 0.8153 1.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 1.8090 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1497 1.8090 0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6428 -2.7746 1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 -2.7751 -1.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -3.5591 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6466 -3.5594 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 0.4685 1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9643 0.4684 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2882 -1.0745 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -1.0745 1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 2.4472 1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 2.4471 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 0.9098 -2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 0.9100 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 -2.9796 2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -1.8880 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -3.6151 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 -3.6154 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 -2.9804 -2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -1.8885 -1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8394 3.4870 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 3.4869 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 37 1 0 0 0 0 2 18 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END > DB00890 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NFDFQCUYFHCNBW-SCGPFSFSSA-N/SDF?record_type=3d > [H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 > InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+ > NFDFQCUYFHCNBW-SCGPFSFSSA-N > C18H18O2 > 266.34 > 266.13067982 > 2 > 38 > 30.269300122521248 > 1 > 2 > 0 > 1 > 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol > 5.18 > 4.831961091333333 > -4.33 > 0 > 2 > 0 > 9.701624901640892 > 9.099340202888508 > -5.963491272451224 > 40.46 > 84.3572 > 3 > 1 > 1.23e-02 g/l > [1-({2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-2-nitroethenyl](methyl)amine > 0 $$$$