Mrv0541 02231217062D 8 7 0 0 0 0 999 V2000 2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.1434 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 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 3 4 1 0 0 0 0 3 5 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 M CHG 2 4 -1 7 -1 M END > DB03680 > drugbank > OC(C([O-])=O)C([O-])=O > InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2 > ROBFUDYVXSDBQM-UHFFFAOYSA-L > C3H2O5 > 118.045 > 117.990223174 > 5 > 10 > -1.996902744250471 > 8.163450856924378 > 1 > 1 > -2 > 0 > 2-hydroxypropanedioate > -0.92 > -1.0462757289999998 > 0.55 > 0 > -2 > 0 > -2 > 4.791393825073151 > 2.156503841175261 > -4.856106978575348 > 100.49000000000001 > 42.00020000000001 > 2 > 1 > 5.42e+02 g/l > biotin > 0 > DB03680 > EXPT03129 > experimental > Tartronate $$$$