1195 -OEChem-10051720403D 26 25 0 1 0 0 0 0 0999 V2000 0.6301 1.3431 -0.1150 P 0 0 2 0 0 0 0 0 0 0 0 0 2.6469 -0.7956 0.0003 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 0.3174 -0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 0.4598 0.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1713 2.3336 1.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 2.0440 -1.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 -1.0517 1.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 -0.1506 -1.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -1.9901 -0.3739 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2511 -1.2996 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 -0.4065 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 -0.5266 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0799 0.4676 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -0.7448 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8902 -2.0064 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 -1.8962 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 -1.0294 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 0.2932 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0099 0.8682 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 -0.0043 1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4128 1.3144 0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -1.4727 -2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -0.1985 -1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 3.0696 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 -1.8309 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0597 -0.7409 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 11 1 0 0 0 0 5 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > DB04714 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NUHSROFQTUXZQQ-UHFFFAOYSA-N/SDF?record_type=3d > CC(=C)CCO[P@](O)(=O)OP(O)(O)=O > InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) > NUHSROFQTUXZQQ-UHFFFAOYSA-N > C5H12O7P2 > 246.0921 > 246.005825762 > 5 > 26 > -2.4299441501509706 > 19.011958475186823 > 1 > 3 > 0 > 1 > ({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid > 0.04 > 0.19933072100000007 > -1.57 > 0 > -2 > 0 > -3 > 3.219951501702814 > 1.7784542453586973 > 113.29 > 48.2068 > 6 > 1 > 6.69e+00 g/l > tetrahydrofolic acid > 0 $$$$