57517090 -OEChem-03292405352D 19 18 0 1 0 0 0 0 0999 V2000 3.7690 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.1830 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 0.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 17 1 0 0 0 0 2 5 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 M RAD 1 8 2 M END > 57517090 > 1 > 74.1 > 3 > 3 > 2 > AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADFSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAQAAFAAABAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C5H11O3/c1-4(7)5(2,8)3-6/h4,6-8H,2-3H2,1H3 > GWWOHELWJROWPJ-UHFFFAOYSA-N > -1.1 > 119.070819209 > C5H11O3 > 119.14 > CC(C([CH2])(CO)O)O > CC(C([CH2])(CO)O)O > 60.7 > 119.070819209 > 0 > 8 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 4 1 3 5 2 3 $$$$