68512023 -OEChem-09082316263D 83 85 0 0 0 0 0 0 0999 V2000 -3.4721 3.8444 0.9915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3956 -3.8665 1.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7175 1.7367 1.8843 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3414 0.5837 -2.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 -3.9843 -0.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 2.2835 -2.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 2.7968 -1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 -5.3075 0.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 2.5385 -0.7522 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0978 0.3944 1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.0587 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0093 -1.1830 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 0.9611 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 0.6687 2.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 0.5276 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 -1.9053 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5262 1.3646 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 2.1732 0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1661 -1.8461 1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 1.0879 1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9008 2.7567 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -3.2314 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 1.6181 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8354 1.1110 -1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -3.2907 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7359 1.8948 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 2.2256 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 -3.9536 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8107 2.0215 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9574 3.6812 2.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 -3.4853 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.5370 2.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7782 -0.7732 -2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8124 -3.3026 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 1.2829 -3.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1226 4.6224 2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -4.6781 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6778 0.6810 2.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9176 -0.9586 -3.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.3133 -2.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 1.6274 -4.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 0.4759 2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5766 -0.0028 3.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 1.6951 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -0.3213 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9681 -1.4024 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 1.2711 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 2.6423 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 -1.2967 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 0.7705 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 3.9168 3.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 2.6499 2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -3.1415 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0729 -2.6699 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0339 -0.3277 1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 0.3736 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 -1.0405 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9416 -1.4260 -2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 -2.7854 -0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -2.5804 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 1.2557 -3.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 0.2936 -3.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 2.2943 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 -5.5891 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 2.7575 -1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8175 5.6602 2.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9293 4.4079 1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 4.5315 3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 -5.5058 0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7442 -5.0435 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4952 -4.4175 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2268 0.8611 1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8672 1.5397 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0763 -0.2190 3.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2711 -1.9935 -3.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6006 -0.6963 -4.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7539 -0.2985 -3.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 -3.8248 -2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -4.8500 -2.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 -5.0643 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 0.8846 -5.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5445 1.6739 -4.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 2.6131 -5.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 30 1 0 0 0 0 2 22 1 0 0 0 0 2 31 1 0 0 0 0 3 23 1 0 0 0 0 3 32 1 0 0 0 0 4 24 1 0 0 0 0 4 33 1 0 0 0 0 5 25 1 0 0 0 0 5 34 1 0 0 0 0 6 26 1 0 0 0 0 6 35 1 0 0 0 0 7 27 1 0 0 0 0 7 63 1 0 0 0 0 8 28 1 0 0 0 0 8 64 1 0 0 0 0 9 29 1 0 0 0 0 9 65 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 24 1 0 0 0 0 15 45 1 0 0 0 0 16 25 1 0 0 0 0 16 46 1 0 0 0 0 17 26 1 0 0 0 0 17 47 1 0 0 0 0 18 21 2 0 0 0 0 18 48 1 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 23 2 0 0 0 0 20 50 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 27 2 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 30 36 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 37 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 38 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 39 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 40 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 41 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 M END > DB18058 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XBQUOTRVJFIZGM-UHFFFAOYSA-N/SDF?record_type=3d > CCOC1=CC(=CC(OCC)=C1O)C(C)(C1=CC(OCC)=C(O)C(OCC)=C1)C1=CC(OCC)=C(O)C(OCC)=C1 > InChI=1S/C32H42O9/c1-8-36-23-14-20(15-24(29(23)33)37-9-2)32(7,21-16-25(38-10-3)30(34)26(17-21)39-11-4)22-18-27(40-12-5)31(35)28(19-22)41-13-6/h14-19,33-35H,8-13H2,1-7H3 > XBQUOTRVJFIZGM-UHFFFAOYSA-N > C32H42O9 > 570.679 > 570.282882932 > 9 > 83 > 0.00013308964827011497 > 63.70151861780701 > 0 > 3 > 0 > 0 > 4-[1,1-bis(3,5-diethoxy-4-hydroxyphenyl)ethyl]-2,6-diethoxyphenol > 6.070034201000002 > 1 > 0 > 3 > 0 > 9.433211854195365 > 8.94921717007125 > -4.219749736812038 > 116.07000000000002 > 159.00549999999996 > 15 > 0 > 4-[1,1-bis(3,5-diethoxy-4-hydroxyphenyl)ethyl]-2,6-diethoxyphenol > 0 $$$$