53424615 -OEChem-03292405262D 30 30 0 1 0 0 0 0 0999 V2000 5.1350 2.6900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 3.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -3.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 15 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 23 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 M END > 53424615 > 1 > 327 > 7 > 4 > 5 > AAADccByOABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADBThmAYyBoLAAoCAAiBCADACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BEZmAfQ8LYOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > [2-hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulfate > sulfuric acid [2-hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] ester > [2-hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulfate > [2-hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulfate > [4-[2-(methylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl] hydrogen sulfate > sulfuric acid [2-hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] ester > InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-9(7(11)4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15) > AELFRHHZGTVYGJ-UHFFFAOYSA-N > -4.2 > 263.04635831 > C9H13NO6S > 263.27 > CNCC(C1=CC(=C(C=C1)OS(=O)(=O)O)O)O > CNCC(C1=CC(=C(C=C1)OS(=O)(=O)O)O)O > 125 > 263.04635831 > 0 > 17 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 13 8 12 14 8 13 16 8 14 15 8 15 16 8 9 2 3 $$$$