6451933 -OEChem-03282415212D 21 20 0 1 0 0 0 0 0999 V2000 3.7690 0.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4720 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.0280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 -1.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 0.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 2 19 1 0 0 0 0 3 7 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 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 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 M END > 6451933 > 1 > 85 > 4 > 4 > 3 > AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADFSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAQAAFAAABAABAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-methylbutane-1,2,3,4-tetrol > 2-methylbutane-1,2,3,4-tetrol > 2-methylbutane-1,2,3,4-tetrol > 2-methylbutane-1,2,3,4-tetrol > 2-methylbutane-1,2,3,4-tetrol > 2-methylbutane-1,2,3,4-tetrol > InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3 > HGVJFBSSLICXEM-UHFFFAOYSA-N > -2.2 > 136.07355886 > C5H12O4 > 136.15 > CC(CO)(C(CO)O)O > CC(CO)(C(CO)O)O > 80.9 > 136.07355886 > 0 > 9 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 5 1 3 6 2 3 $$$$