255 -OEChem-10051721023D 32 33 0 0 0 0 0 0 0999 V2000 -0.0208 1.8868 0.2487 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 0.6004 -0.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 2.0229 -0.4311 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 3.1368 -0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 1.8556 1.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7088 -0.4746 0.8489 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4287 -2.6212 0.9434 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.3227 -2.1301 -0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6987 -1.3985 -0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9408 -1.1149 0.0908 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6084 -1.6132 0.2181 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9596 0.1810 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 1.1297 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8323 0.8783 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 0.0057 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -0.9453 -1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6783 1.3529 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5983 -0.6769 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -0.6870 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1517 0.4493 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -0.9052 0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -1.3743 -0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7222 0.4419 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 1.7587 1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3487 -0.2080 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 -1.4920 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8201 2.2309 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 1.0167 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 -1.7742 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0384 -2.2560 -1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6595 0.6445 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 4.0371 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 32 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 20 1 0 0 0 0 14 24 1 0 0 0 0 15 21 1 0 0 0 0 15 25 1 0 0 0 0 16 22 2 0 0 0 0 16 26 1 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 M CHG 4 6 -1 7 -1 10 1 11 1 M END > DB07418 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MHSVUSZEHNVFKW-UHFFFAOYSA-N/SDF?record_type=3d > OP(=O)(OC1=CC=C(C=C1)[N+]([O-])=O)OC1=CC=C(C=C1)[N+]([O-])=O > InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20) > MHSVUSZEHNVFKW-UHFFFAOYSA-N > C12H9N2O8P > 340.1822 > 340.009651786 > 6 > 32 > -0.9999993267596289 > 27.892102555611174 > 1 > 1 > 0 > 1 > bis(4-nitrophenoxy)phosphinic acid > 2.08 > 2.931702898666667 > -4.47 > 0 > -1 > 2 > -1 > 0.8281704431383446 > 142.04000000000002 > 75.8127 > 6 > 1 > 1.16e-02 g/l > biotin > 0 $$$$