Mrv0541 02231216292D 8 7 0 0 0 0 999 V2000 0.1105 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 M END > DB02823 > drugbank > 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 > DB02823 > EXPT02488 > experimental > Phosphonoacetic Acid $$$$