KEGG:C07874 1,4-Bis(2-ethylhexyl) sulfosuccinate ISISHOST03240423182D 1 1.00000 0.00000 6919 28 27 0 0 0 999 V2000 0.3069 0.0241 0.0000 C 0 0 3 0 0 0 0 0 0 1.0207 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4069 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0.3069 0.8483 0.0000 S 0 0 3 0 0 0 0 0 0 1.7310 0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 1.0207 -1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1207 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.2655 1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5276 0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 1.1793 0.8586 0.0000 O 0 0 0 0 0 0 0 0 0 2.4414 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8345 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1207 0.8483 0.0000 O 0 0 0 0 0 0 0 0 0 3.1552 0.0241 0.0000 C 0 0 3 0 0 0 0 0 0 -2.5448 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 3.8690 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 3.1552 0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2586 -0.3862 0.0000 C 0 0 3 0 0 0 0 0 0 4.5828 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 3.8690 1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9724 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2586 -1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 5.2966 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6828 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9724 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 6.0103 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -5.4000 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -6.1138 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 4 9 2 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 7 12 1 0 0 0 7 13 2 0 0 0 11 14 1 0 0 0 12 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 18 22 1 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 22 25 1 0 0 0 23 26 1 0 0 0 24 27 1 0 0 0 27 28 1 0 0 0 M END