647 -OEChem-10051719423D 26 25 0 1 0 0 0 0 0999 V2000 -1.3319 1.4984 0.0641 P 0 0 2 0 0 0 0 0 0 0 0 0 -1.8905 -1.3896 0.0344 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 1.3030 0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 0.0946 -0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 2.5218 -1.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1724 1.9301 1.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5672 -2.2476 -1.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0779 -1.2505 1.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -1.9374 0.5627 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 0.8953 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2966 -0.3070 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 0.7873 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -0.2149 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 -1.6835 -0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7762 -0.0342 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 1.6563 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 1.7274 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 -0.8790 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4304 -0.5106 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 0.7988 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9156 -2.3803 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9426 -1.7364 -0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6556 -2.0398 -1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 3.4820 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 -3.2180 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2805 -2.0136 1.7042 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 10 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 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > DB01785 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CBIDRCWHNCKSTO-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/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8) > CBIDRCWHNCKSTO-UHFFFAOYSA-N > C5H12O7P2 > 246.0921 > 246.005825762 > 5 > 26 > -2.430133972633319 > 19.189525286748115 > 1 > 3 > 0 > 1 > ({hydroxy[(3-methylbut-2-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid > 0.30 > 0.2973045106666672 > -1.58 > 0 > -2 > 0 > -3 > 3.2043412500331905 > 1.7672191522873948 > 113.29000000000002 > 49.1253 > 5 > 1 > 6.54e+00 g/l > tetrahydrofolic acid > 0 $$$$