446313 -OEChem-10051720353D 75 75 0 0 0 0 0 0 0999 V2000 1.3025 -0.0055 1.6314 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 0.3498 -0.5393 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.8507 -0.3191 -0.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 1.2502 2.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -1.2219 2.0835 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 1.0512 -2.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 -1.1721 -0.9248 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -0.1854 2.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 0.9915 0.3828 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -2.6912 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 2.2984 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 -1.3295 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 1.0706 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -0.1935 -0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 -1.2012 -0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5616 1.1988 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 0.0628 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 -3.0979 0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 -2.8266 -1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 -3.7940 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 3.5838 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9168 2.5307 -1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4027 2.2678 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6445 0.1969 -1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5993 0.1893 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 2.5192 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -2.5548 1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 2.4546 -2.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0829 -1.4163 -1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3425 3.5201 3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 -3.5036 2.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 2.8680 -3.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 -2.8911 -1.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -2.0419 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 2.1499 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3873 -4.1326 0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -3.0153 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8827 -2.4654 1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8109 -3.8656 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3547 -2.2218 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0924 -2.5294 -2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 -4.7874 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8325 -3.6883 -1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -3.8203 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4239 3.7251 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 3.5941 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4711 4.4769 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7292 1.8050 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 2.5476 -2.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 3.5056 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 3.2402 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 1.5291 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 2.0942 2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 0.2977 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3359 0.5024 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 2.4484 2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 2.8291 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 -2.6874 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -2.7495 2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 2.9538 -1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 2.7328 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 -1.1210 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -0.8213 -2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 3.2083 4.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 3.5851 2.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8839 4.5128 3.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -3.3035 1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1101 -3.3673 3.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 -4.5435 2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 2.5813 -4.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 2.3612 -4.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 3.9488 -3.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0082 -3.4929 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -3.2010 -2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 -3.1156 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 25 1 0 0 0 0 3 14 1 0 0 0 0 3 55 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 24 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 31 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 32 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 33 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 M END > DB04466 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YQLJDECYQDRSBI-UHFFFAOYSA-N/SDF?record_type=3d > CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC > InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 > YQLJDECYQDRSBI-UHFFFAOYSA-N > C24H42O7P2 > 504.5336 > 504.240576722 > 3 > 75 > -0.00038130660745918385 > 53.616700705176164 > 0 > 1 > 0 > 0 > diethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(diethoxyphosphoryl)ethenyl]phosphonate > 4.97 > 6.752431029666665 > -3.94 > 0 > 0 > 1 > 0 > 10.418560038067652 > -5.092380093358928 > 91.29000000000002 > 133.1981 > 13 > 0 > 5.81e-02 g/l > tetrahydrofolic acid > 0 $$$$