4395717 -OEChem-10051721103D 49 48 0 0 0 0 0 0 0999 V2000 5.0382 -1.2931 0.1505 P 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.6564 0.1506 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -0.0871 -1.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4003 -0.4710 -0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 -1.3293 1.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 1.6254 1.7669 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 2.0546 -0.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9537 -2.6301 -0.5245 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 2.5456 -0.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 -0.1095 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 -0.7444 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 -0.0118 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 -0.6602 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 0.0515 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 -0.6058 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 0.1012 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3544 -0.4587 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5924 0.3233 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8998 -0.2338 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1803 0.4530 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4511 -0.1760 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 -1.7739 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 -0.8070 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1289 0.0463 -1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 1.0085 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.6945 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2102 -0.7199 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 0.0749 -1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 1.0945 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -1.6525 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7399 -0.6159 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9745 1.1617 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 0.0676 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4559 -1.5072 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -0.4517 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4894 1.3731 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6484 0.3109 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9632 -1.3005 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8576 -0.1766 1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 0.2888 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1518 1.5108 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2163 0.4220 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -0.9153 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 -1.9297 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8059 2.4743 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6206 2.9813 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3314 0.3551 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4664 -0.1326 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5303 -1.2247 0.0945 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 10 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 10 1 0 0 0 0 3 10 1 0 0 0 0 3 40 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 M END > DB07873 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KKVZONPEMODBBG-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O > InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19) > KKVZONPEMODBBG-UHFFFAOYSA-N > C12H28O7P2 > 346.294 > 346.131026274 > 7 > 49 > -2.5468589277711104 > 34.833863458297465 > 1 > 5 > 0 > 1 > (1-hydroxy-1-phosphonododecyl)phosphonic acid > 1.57 > 2.0660707920000014 > -2.05 > 0 > -3 > 0 > -3 > 1.4540888036744353 > 0.6912523191803949 > -5.154428012996781 > 135.29 > 80.59559999999999 > 12 > 1 > 3.11e+00 g/l > biotin > 0 $$$$