121947 -OEChem-10051720333D 27 27 0 1 0 0 0 0 0999 V2000 -3.0489 -0.4866 0.0568 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 -1.0271 0.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 1.0133 1.6385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 2.2934 -1.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 -0.4851 0.9694 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 -1.7590 0.5594 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3925 -0.4044 -1.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4109 -2.0006 -0.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 0.7845 0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 1.1812 0.2222 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7247 1.9919 -0.1041 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5113 -0.1879 -0.4807 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0085 1.2315 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 -0.2390 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 -0.8859 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1754 -1.0204 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 1.7646 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 2.9444 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 -0.0565 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 1.3561 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 1.6749 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 -1.9474 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 0.4548 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 2.8044 -1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -0.9812 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8764 -1.6527 0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2445 -0.0072 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 16 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 8 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 22 1 0 0 0 0 M END > DB04328 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QYOJSKGCWNAKGW-PBXRRBTRSA-N/SDF?record_type=3d > O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O > InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1 > QYOJSKGCWNAKGW-PBXRRBTRSA-N > C7H11O8P > 254.1312 > 254.01915384 > 7 > 27 > -2.869118965092495 > 20.56510603496603 > 1 > 5 > 0 > 0 > (3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid > -2.07 > -1.7636401083333335 > -1.08 > 0 > -3 > 1 > -3 > 3.911155113481455 > 1.315271328315902 > -3.2257784599393493 > 144.52 > 49.833200000000005 > 3 > 1 > 2.10e+01 g/l > biotin > 0 $$$$