5281078 -OEChem-07161916273D 62 64 0 0 0 0 0 0 0999 V2000 5.7263 -1.0195 -0.7871 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 2.4109 1.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -2.8459 -0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 2.2695 -1.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 0.5250 2.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 1.1937 2.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -2.6552 -2.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 -1.2410 -0.0682 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -1.9115 -1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0329 -1.0987 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8373 -1.9758 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7197 -1.1341 -1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 -0.3396 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5361 2.4652 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 1.3946 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 1.7620 1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 2.6485 -1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 -2.1073 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 2.1040 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 1.2115 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 0.8176 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 2.9216 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 -0.5793 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 1.7241 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 -3.0336 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -1.7100 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 3.4093 -2.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -3.7998 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -3.0455 -0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 -1.7853 2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4865 3.4245 -1.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -1.9394 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 -2.9392 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3666 -2.0869 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -0.5496 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -1.4526 1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1264 -2.9739 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 -0.1331 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -1.6642 -2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0275 -0.2843 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9482 0.6877 0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -2.6741 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -1.1185 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1139 1.4296 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 0.8889 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 4.0111 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5524 2.4778 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2975 -0.6576 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 -3.6587 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 -2.8623 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 3.3692 -2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 2.9944 -3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 4.4588 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 -4.7705 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -4.0040 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3347 -2.4628 2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0555 -2.1724 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 -0.8270 2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 0.4967 2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 3.6679 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 4.2782 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4259 3.2281 -2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 20 1 0 0 0 0 5 59 1 0 0 0 0 6 24 2 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 18 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > DB00688 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RTGDFNSFWBGLEC-SYZQJQIISA-N/SDF?record_type=3d > COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C > InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+ > RTGDFNSFWBGLEC-SYZQJQIISA-N > C23H31NO7 > 433.4947 > 433.210052351 > 6 > 62 > 45.53722326991252 > 1 > 1 > 0 > 1 > 2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate > 2.17 > 3.4736355743333323 > -3.66 > 1 > 3 > 0 > 14.38122580303842 > 9.758820411890762 > 6.1946067239868645 > 94.52999999999999 > 117.0961 > 10 > 1 > 9.50e-02 g/l > mycophenolate mofetil > 0 $$$$