17949246 -OEChem-03292401462D 24 23 0 1 0 0 0 0 0999 V2000 4.7690 -0.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4515 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 1.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 1.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 21 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 9 1 0 0 0 0 4 24 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 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 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 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M END > 17949246 > 1 > 89.7 > 4 > 4 > 4 > AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADUSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAQAAFAAABAABAAAAIgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-(hydroxymethyl)-3-methyl-butane-1,2,4-triol > 2-(hydroxymethyl)-3-methylbutane-1,2,4-triol > 2-(hydroxymethyl)-3-methylbutane-1,2,4-triol > 2-(hydroxymethyl)-3-methylbutane-1,2,4-triol > 2-(hydroxymethyl)-3-methyl-butane-1,2,4-triol > 3-methyl-2-methylol-butane-1,2,4-triol > InChI=1S/C6H14O4/c1-5(2-7)6(10,3-8)4-9/h5,7-10H,2-4H2,1H3 > GGRSJWJWISVZHC-UHFFFAOYSA-N > -1.8 > 150.08920892 > C6H14O4 > 150.17 > CC(CO)C(CO)(CO)O > CC(CO)C(CO)(CO)O > 80.9 > 150.08920892 > 0 > 10 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 6 10 3 $$$$