6477182 -OEChem-06121800513D 53 54 0 0 0 0 0 0 0999 V2000 5.9086 2.5887 -0.9267 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1155 2.5500 0.7683 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3274 1.5091 -0.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4876 1.3673 -0.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 -3.2555 0.0462 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 -3.2031 0.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8909 -0.7850 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9858 -0.8261 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 1.3017 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 0.5240 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 1.2450 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1901 0.7594 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 0.5013 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3291 0.6511 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0891 -1.3380 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1604 -1.4304 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -0.5604 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3403 -0.6866 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6675 -1.6064 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 -1.6116 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 -1.1108 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 -1.0847 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -1.8764 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 -1.9824 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -1.2543 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 3.5949 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8579 3.0818 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5269 0.8796 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7941 2.0580 -1.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 0.9754 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 0.9285 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1482 -2.3643 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1851 -2.4709 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1538 -1.0473 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2646 -1.1558 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 -2.6768 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 -2.6911 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 -0.0343 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 -0.0185 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 -0.1683 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 4.5651 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 3.4274 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 3.6092 0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0251 4.1310 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 2.5841 2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1277 3.0758 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 1.6195 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4656 0.5972 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8031 0.0361 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9063 1.3505 -2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7408 2.5874 -1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0147 2.7900 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -3.5314 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 23 1 0 0 0 0 5 53 1 0 0 0 0 6 24 2 0 0 0 0 7 10 2 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 13 2 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 17 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > DB06133 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZMGUKFHHNQMKJI-CIOHCNBKSA-N/SDF?record_type=3d > COC1=CC=C(\C=C\C(\O)=C\C(=O)\C=C\C2=CC(OC)=C(OC)C=C2)C=C1OC > InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15- > ZMGUKFHHNQMKJI-CIOHCNBKSA-N > C23H24O6 > 396.439 > 396.157288493 > 6 > 53 > 44.038561546273975 > 1 > 1 > 0 > 1 > (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one > 4.38 > 4.050827468666666 > -5.45 > 0 > 2 > 0 > 9.036529462814151 > -4.268310574136389 > 74.22000000000001 > 115.0909 > 9 > 1 > 1.41e-03 g/l > (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one > 0 $$$$