5289215 -OEChem-10051720083D 33 34 0 1 0 0 0 0 0999 V2000 -0.3390 -2.1783 0.5517 P 0 0 1 0 0 0 0 0 0 0 0 0 0.9991 -1.2676 0.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -1.3159 -0.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -3.3788 -0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 -2.6594 1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 0.5536 -2.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7114 0.0457 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 -0.7564 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0098 -0.1469 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 0.5240 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 1.4064 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9527 -0.5791 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 0.3766 1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5242 1.7183 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 2.1521 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 0.1667 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 1.5708 1.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 1.5322 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0832 2.2417 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 -0.0056 -1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -0.1321 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -1.5841 -1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 1.8984 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 -1.6424 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 -0.1011 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 2.2600 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6988 3.2152 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 -0.3159 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7616 1.9799 2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9197 2.1127 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5006 3.1719 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0168 -0.9505 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 -4.1334 -0.1937 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 8 1 0 0 0 0 3 9 1 0 0 0 0 4 33 1 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > DB03078 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PWDTUFYQEUEVQD-UHFFFAOYSA-N/SDF?record_type=3d > O[P@@](=O)(OCC1=CC=CC=C1)OC1=C(C=O)C=CC=C1 > InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17) > PWDTUFYQEUEVQD-UHFFFAOYSA-N > C14H13O5P > 292.2238 > 292.050060038 > 3 > 33 > -0.9999978821986795 > 27.553988124963794 > 1 > 1 > 0 > 1 > (benzyloxy)(2-formylphenoxy)phosphinic acid > 2.07 > 2.8307515333333333 > -2.82 > 0 > -1 > 2 > -1 > 1.32588613566789 > -7.300563290583736 > 72.83000000000001 > 74.59070000000001 > 6 > 1 > 4.41e-01 g/l > tetrahydrofolic acid > 0 $$$$