5287488 -OEChem-10051720133D 24 24 0 0 0 0 0 0 0999 V2000 2.2064 0.6682 0.2776 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 0.1894 -0.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -2.4111 0.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 -0.6420 1.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 0.7569 -0.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 1.9268 1.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 3.1358 -0.4958 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -0.1259 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 -1.4398 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 0.8580 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -1.7699 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5337 0.5280 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8309 -0.7859 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 2.2364 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -3.1251 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 -2.7913 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 1.2762 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8298 -1.0431 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0535 2.4662 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 -2.4438 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 -3.6563 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -3.8577 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 -0.5728 1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3032 1.1284 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 8 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 M END > DB03306 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CGEZBCISRKFHLZ-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC(C=O)=C1OP(O)(O)=O > InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12) > CGEZBCISRKFHLZ-UHFFFAOYSA-N > C8H9O6P > 232.1272 > 232.013674532 > 5 > 24 > -1.8447307077540032 > 19.095424906460416 > 1 > 2 > 0 > 1 > (2-formyl-6-methoxyphenoxy)phosphonic acid > -0.02 > 0.5706464276666666 > -1.78 > 0 > -2 > 1 > -2 > 6.565384371998051 > 1.591113432614765 > -4.912925616705689 > 93.06 > 51.959 > 4 > 1 > 3.87e+00 g/l > biotin > 0 $$$$