9861452 -OEChem-03282419552D 39 38 0 1 0 0 0 0 0999 V2000 8.2700 3.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 4.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 2.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4641 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 4.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 2 11 1 0 0 0 0 2 34 1 0 0 0 0 3 18 1 0 0 0 0 3 36 1 0 0 0 0 4 19 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 35 1 0 0 0 0 M END > 9861452 > 1 > 258 > 8 > 6 > 4 > AAADceByOABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADDzhmAYyBoLAAoCAAiBCADACAAAgIAAAiIAOCIgKNyKCkROEcAAl0BWYmAfQ8LYOAAABCAAAAAAAAAIQAAAAAAAAAAAAAA== > 5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-diol;sulfuric acid > 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol;sulfuric acid > 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol;sulfuric acid > 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol;sulfuric acid > 5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,3-diol;sulfuric acid > 5-[1-hydroxy-2-(isopropylamino)ethyl]resorcinol;sulfuric acid > InChI=1S/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4) > KSADBGVWHQJPAL-UHFFFAOYSA-N > 309.08822312 > C11H19NO7S > 309.34 > CC(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O > CC(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O > 156 > 309.08822312 > 0 > 20 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 13 16 8 13 17 8 16 19 8 17 18 8 18 20 8 19 20 8 11 2 3 $$$$