71426847 -OEChem-03292409242D 35 35 0 1 0 0 0 0 0999 V2000 5.1350 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 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 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6550 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 6.8671 3.1550 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 6.8671 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.4527 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 5.3471 -0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 6 0 0 0 2 29 1 0 0 0 0 3 10 1 0 0 0 0 3 30 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 M END > 71426847 > 1 > 208 > 4 > 2 > 8 > AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADBSgmAIwBoAABgCIAihSgAACCAAkIAAIiAEGCMgNNjKENRqCeSCkwBEJqYeK6ByOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA== > 3-[(5S)-5,6-dihydroxyhexoxy]benzaldehyde > 3-[(5S)-5,6-dihydroxyhexoxy]benzaldehyde > 3-[(5S)-5,6-dihydroxyhexoxy]benzaldehyde > 3-[(5S)-5,6-dihydroxyhexoxy]benzaldehyde > 3-[(5S)-5,6-bis(oxidanyl)hexoxy]benzaldehyde > 3-[(5S)-5,6-dihydroxyhexoxy]benzaldehyde > InChI=1S/C13H18O4/c14-9-11-4-3-6-13(8-11)17-7-2-1-5-12(16)10-15/h3-4,6,8-9,12,15-16H,1-2,5,7,10H2/t12-/m0/s1 > KMAOFMIFMWFAQP-LBPRGKRZSA-N > 1.1 > 238.12050905 > C13H18O4 > 238.28 > C1=CC(=CC(=C1)OCCCCC(CO)O)C=O > C1=CC(=CC(=C1)OCCCC[C@@H](CO)O)C=O > 66.8 > 238.12050905 > 0 > 17 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 13 8 12 14 8 13 15 8 14 16 8 15 16 8 8 2 6 $$$$