Mrv0541 02231217292D 9 8 0 0 0 0 999 V2000 -0.6039 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1105 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.9520 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.5230 0.0000 O 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 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 5 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 O 0 5 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 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 M CHG 4 1 -1 3 -1 7 -1 8 -1 M END > DB04160 > drugbank > [O-]P([O-])(=O)OP([O-])([O-])=O > InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4 > InChIKey=XPPKVPWEQAFLFU-UHFFFAOYSA-J > 6 > 9.031790774202774 > 1 > 0 > 173.911925378 > -4 > O7P2 > 0 > (phosphonatooxy)phosphonate > -1.4419023016666666 > 173.9433 > 0 > 0 > -3 > 3.040391741362254 > 1.7026764435673858 > 135.61 > 21.038000000000004 > 2 > 1 > phosphonatooxyphosphonate > 0 > DB04160 > experimental > Diphosphate $$$$