546 -OEChem-10051720033D 13 12 0 0 0 0 0 0 0999 V2000 1.2184 -0.0156 0.0847 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3134 1.1655 0.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 -0.6139 -1.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 -1.0079 1.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7108 0.7439 0.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -1.1904 -0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.8897 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 0.0288 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 1.4411 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 1.6041 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 0.9334 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 -1.1837 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5037 0.1691 0.0104 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 2 0 0 0 0 1 7 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > DB02823 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XUYJLQHKOGNDPB-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CP(O)(O)=O > InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) > XUYJLQHKOGNDPB-UHFFFAOYSA-N > C2H5O5P > 140.0319 > 139.987459782 > 5 > 13 > -2.0880819996601923 > 9.62935134077581 > 1 > 3 > 0 > 0 > 2-phosphonoacetic acid > -2.58 > -1.6011253753333332 > -0.75 > 0 > -2 > 0 > -2 > 4.175716720456989 > 1.6377235892899562 > 94.83000000000001 > 23.634 > 2 > 1 > 2.51e+01 g/l > biotin > 0 $$$$