6857442 -OEChem-03282419552D 22 21 0 1 0 0 0 0 0999 V2000 4.2690 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 6 0 0 0 1 19 1 0 0 0 0 7 2 1 1 0 0 0 2 21 1 0 0 0 0 8 3 1 1 0 0 0 3 22 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 20 1 0 0 0 0 M END > 6857442 > 1 > 104 > 4 > 3 > 4 > AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgAIAAgQgAIAAAAAAAAAAAFAAAABEBIAAAAAQAAFAAABAAHKDABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,4S,5S)-2,4,5-trihydroxyhexanal > (2S,4S,5S)-2,4,5-trihydroxyhexanal > (2S,4S,5S)-2,4,5-trihydroxyhexanal > (2S,4S,5S)-2,4,5-trihydroxyhexanal > (2S,4S,5S)-2,4,5-tris(oxidanyl)hexanal > (2S,4S,5S)-2,4,5-trihydroxyhexanal > InChI=1S/C6H12O4/c1-4(8)6(10)2-5(9)3-7/h3-6,8-10H,2H2,1H3/t4-,5-,6-/m0/s1 > GNTQICZXQYZQNE-ZLUOBGJFSA-N > -1.4 > 148.07355886 > C6H12O4 > 148.16 > CC(C(CC(C=O)O)O)O > C[C@@H]([C@H](C[C@@H](C=O)O)O)O > 77.8 > 148.07355886 > 0 > 10 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 5 1 6 7 2 5 8 3 5 $$$$