445555 -OEChem-10051720023D 33 33 0 1 0 0 0 0 0999 V2000 4.0496 1.3628 0.0234 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.2498 1.0361 -0.0641 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 -0.5462 1.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -3.6299 0.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -0.8598 -1.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 0.3290 0.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 -0.1050 0.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 2.1114 -1.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0736 0.3899 -0.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5364 2.1134 -1.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 1.7843 1.3693 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 2.2680 1.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.5323 -0.5336 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5694 -2.4180 -0.3504 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7614 -1.7334 -0.5900 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3358 -1.4237 0.5219 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9530 -0.9413 0.6978 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3084 -0.5609 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8322 0.2908 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -2.6685 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5925 -2.4245 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 -1.9177 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 -1.6101 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 0.0297 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 -1.1901 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3977 1.0222 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9074 0.7797 1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2374 -4.0177 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4818 -1.4084 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 2.8450 -1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 0.7722 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0579 2.8780 -1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9472 2.4723 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 M END > DB02778 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WSMBXSQDFPTODV-JGWLITMVSA-N/SDF?record_type=3d > [H][C@]1(O)[C@]([H])(O)[C@]([H])(COP(O)(O)=O)O[C@]1([H])COP(O)(O)=O > InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1 > WSMBXSQDFPTODV-JGWLITMVSA-N > C6H14O11P2 > 324.1163 > 324.001134314 > 9 > 33 > -3.8741979848244323 > 24.900522592124506 > 1 > 6 > 0 > 0 > {[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid > -1.53 > -2.8154473389999994 > -1.31 > 0 > -4 > 1 > -4 > 1.5311084870672373 > 0.9290538305142118 > -3.6451461555460916 > 183.20999999999998 > 56.639300000000006 > 6 > 0 > 1.59e+01 g/l > biotin > 0 $$$$