62852 -OEChem-03282413562D 48 48 0 1 0 0 0 0 0999 V2000 4.2690 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 4.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 5.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 11 2 1 1 0 0 0 2 13 1 0 0 0 0 7 3 1 1 0 0 0 3 34 1 0 0 0 0 8 4 1 6 0 0 0 4 35 1 0 0 0 0 9 5 1 6 0 0 0 5 38 1 0 0 0 0 6 12 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 1 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 M END > 62852 > 1 > 250 > 6 > 4 > 9 > AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4KwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxy-tetrahydropyran-3,4,5-triol > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxy-oxane-3,4,5-triol > (2R,3S,4S,5R,6R)-2-methylol-6-octoxy-tetrahydropyran-3,4,5-triol > InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1 > HEGSGKPQLMEBJL-RKQHYHRCSA-N > 1.4 > 292.18858861 > C14H28O6 > 292.37 > CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O > CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O > 99.4 > 292.18858861 > 0 > 20 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 5 11 2 5 7 3 5 8 4 6 9 5 6 $$$$