69119265 -OEChem-03292412002D 39 39 0 1 0 0 0 0 0999 V2000 3.4030 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 2.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 35 1 0 0 0 0 2 12 1 0 0 0 0 2 37 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 18 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 M END > 69119265 > 1 > 239 > 5 > 5 > 6 > AAADceByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADDzhmAYyBoLAAgCAAiBCAAACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BGZmAfQ8LcOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 4-[1-hydroxy-2-[(2-hydroxy-1-methyl-ethyl)amino]butyl]benzene-1,2-diol > 4-[1-hydroxy-2-(1-hydroxypropan-2-ylamino)butyl]benzene-1,2-diol > 4-[1-hydroxy-2-(1-hydroxypropan-2-ylamino)butyl]benzene-1,2-diol > 4-[1-hydroxy-2-(1-hydroxypropan-2-ylamino)butyl]benzene-1,2-diol > 4-[1-oxidanyl-2-(1-oxidanylpropan-2-ylamino)butyl]benzene-1,2-diol > 4-[1-hydroxy-2-[(2-hydroxy-1-methyl-ethyl)amino]butyl]pyrocatechol > InChI=1S/C13H21NO4/c1-3-10(14-8(2)7-15)13(18)9-4-5-11(16)12(17)6-9/h4-6,8,10,13-18H,3,7H2,1-2H3 > YMTXWHRWRKKGJJ-UHFFFAOYSA-N > 0.6 > 255.14705815 > C13H21NO4 > 255.31 > CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)CO > CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)CO > 93 > 255.14705815 > 0 > 18 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 7 1 3 10 14 8 10 15 8 14 16 8 15 17 8 16 18 8 17 18 8 6 8 3 9 13 3 $$$$