11957428 -OEChem-03282416182D 27 26 0 1 0 0 0 0 0999 V2000 5.4641 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 25 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 M END > 11957428 > 1 > 119 > 2 > 1 > 6 > AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgCIAChSgAAAAAAgAAAICAAAAEgAFAIAAQAAUAAEgAAIEYOAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (E,4R)-4-hydroxynon-2-enal > (E,4R)-4-hydroxy-2-nonenal > (E,4R)-4-hydroxynon-2-enal > (E,4R)-4-hydroxynon-2-enal > (E,4R)-4-oxidanylnon-2-enal > (E,4R)-4-hydroxynon-2-enal > InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1 > JVJFIQYAHPMBBX-VPIOIWJLSA-N > 1.7 > 156.115029749 > C9H16O2 > 156.22 > CCCCCC(C=CC=O)O > CCCCC[C@H](/C=C/C=O)O > 37.3 > 156.115029749 > 0 > 11 > 1 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 6 1 5 $$$$