16122556 -OEChem-10051721023D 50 52 0 0 0 0 0 0 0999 V2000 -3.3534 -1.6325 1.3175 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.9514 -0.8694 -1.3631 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4056 0.8625 -0.4588 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5045 -0.2898 1.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1086 -3.0426 1.0863 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 -1.8163 0.4969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -1.0313 -2.2582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4749 -2.3902 -1.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 -1.2273 2.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9644 0.0979 -1.8999 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3041 -0.4601 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 0.9123 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 1.7470 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9121 2.3019 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 1.4018 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 1.9510 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7718 2.9784 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 0.2784 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 0.6161 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 3.5401 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 3.8784 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 2.9479 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4595 -1.1057 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 1.2754 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 2.6101 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -1.8932 -1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 -1.6526 1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -3.2273 -1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -2.9868 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2597 -3.7742 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2844 1.6538 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4468 1.2096 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9555 -1.1510 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 0.4398 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7928 -3.8353 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 -2.3848 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -1.2209 -3.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 -2.8270 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 3.2919 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -0.1796 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 4.2610 0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 4.8423 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 3.9967 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0393 1.0295 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 3.3853 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 -1.4827 -2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8328 -1.0530 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 -3.8405 -2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5387 -3.4130 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5712 -4.8130 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 4 33 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB07426 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NWIARQRYIRVYCM-UHFFFAOYSA-N/SDF?record_type=3d > OC(COC1=CC=CC(=C1)C1=CC=CC(=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O > InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) > NWIARQRYIRVYCM-UHFFFAOYSA-N > C20H20O8P2 > 450.3155 > 450.06334064 > 8 > 50 > -2.5749338848086865 > 42.20551907588654 > 1 > 5 > 0 > 1 > [1-hydroxy-2-({3'-phenyl-[1,1'-biphenyl]-3-yl}oxy)-1-phosphonoethyl]phosphonic acid > 1.84 > 2.4898897470000008 > -3.93 > 1 > -3 > 3 > -3 > 1.4126635501855027 > 0.6492808110083197 > -4.8664732128545465 > 144.52 > 111.0418 > 7 > 1 > 5.26e-02 g/l > tetrahydrofolic acid > 0 $$$$