827 -OEChem-03292407192D 22 21 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 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 0.2500 0.0000 O 0 0 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 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.0600 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 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 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 M END > 827 > 1 > 76.1 > 5 > 5 > 4 > AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAFAAABAADAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > pentane-1,2,3,4,5-pentol > pentane-1,2,3,4,5-pentol > pentane-1,2,3,4,5-pentol > pentane-1,2,3,4,5-pentol > pentane-1,2,3,4,5-pentol > pentane-1,2,3,4,5-pentol > InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 > HEBKCHPVOIAQTA-UHFFFAOYSA-N > -2.5 > 152.06847348 > C5H12O5 > 152.15 > C(C(C(C(CO)O)O)O)O > C(C(C(C(CO)O)O)O)O > 101 > 152.06847348 > 0 > 10 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 7 2 3 8 3 3 $$$$