Marvin 09150616272D 17 17 0 0 0 0 999 V2000 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2868 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.4125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1598 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 1.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 15 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 8 13 1 0 0 0 0 14 8 1 0 0 0 0 9 10 1 0 0 0 0 11 10 2 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > CHEBI:32951 > HEPPSO > 3 > N-(hydroxyethyl)piperazine-N'-2-hydroxypropanesulfonic acid; beta-hydroxy-4-(2-hydroxyethyl)piperazine-1-propanesulphonic acid; beta-hydroxy-4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid > 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid > C9H20N2O5S > 268.33158 > 268.10929 > 0 > OCCN1CCN(CC1)CC(O)CS(O)(=O)=O > InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16) > GIZQLVPDAOBAFN-UHFFFAOYSA-N > 798996 > 68399-78-0 > 68399-78-0 $$$$