22197 -OEChem-03282408092D 23 20 0 1 0 0 0 0 0999 V2000 6.0010 -0.2500 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END > 22197 > 1 > 53.5 > 6 > 2 > 0 > AAADccBgOAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > ferrous;2-hydroxypropanoate > 2-hydroxypropanoate;iron(2+) > 2-hydroxypropanoate;iron(2+) > 2-hydroxypropanoate;iron(2+) > iron(2+);2-oxidanylpropanoate > ferrous;lactate > InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2 > DKKCQDROTDCQOR-UHFFFAOYSA-L > 233.982674 > C6H10FeO6 > 233.98 > CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2] > CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2] > 121 > 233.982674 > 0 > 13 > 0 > 2 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 8 2 3 9 3 3 $$$$