5287837 -OEChem-10051721033D 29 30 0 1 0 0 0 0 0999 V2000 -3.6512 -0.8361 0.0654 P 0 0 1 0 0 0 0 0 0 0 0 0 -0.6883 -0.3722 -0.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 -0.8490 1.5884 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0192 -0.8145 -0.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 0.7693 0.0886 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7367 2.0741 -0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 2.1457 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3763 0.8366 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8256 0.6820 -0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 -0.3340 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 0.7708 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 -1.5423 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4406 -0.4396 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7338 -1.5942 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 -0.4966 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 0.7004 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 2.9450 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 2.1017 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 2.3679 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2212 2.9565 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8172 0.6893 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 1.5385 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 1.6725 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -1.8499 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8062 -2.4482 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 -2.5416 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 0.2225 1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -1.4879 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4216 -0.2705 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 24 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M CHG 1 3 -1 M END > DB07487 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QTHZTDVLJRQOGF-JTQLQIEISA-M/SDF?record_type=3d > [H][C@@]1(C[P@@]([H])([O-])=O)CCC2=CC(C)=CC=C2O1 > InChI=1S/C11H15O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10,15H,3-4,7H2,1H3,(H,12,13)/p-1/t10-/m0/s1 > QTHZTDVLJRQOGF-JTQLQIEISA-M > C11H14O3P > 225.2008 > 225.068055826 > 3 > 29 > -0.9999844992934631 > 22.84095737037764 > 1 > 0 > -1 > 1 > {[(2S)-6-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}phosphinate > 1.90 > 1.5996000000000004 > -2.58 > 0 > -1 > 2 > -1 > 2.1903582369836077 > -4.850370377039816 > 49.36 > 57.509100000000004 > 2 > 1 > 6.45e-01 g/l > biotin > 0 $$$$