Mol:EEL3012
Copyright: ARM project http://www.metabolome.jp/
55 54 0 0 0 0 0 0 0 0999 V2000
-3.2936 0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 0.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7159 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 0.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -0.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 0.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 0.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4499 -0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5278 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 0.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7228 0.4878 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 -0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7192 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 6 7 1 0 7 8 1 0 6 10 1 0 6 9 1 0 11 8 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 9 26 1 0 13 41 1 0 17 42 1 0 21 43 1 0 25 44 1 0 28 45 1 0 32 46 1 0 36 47 1 0 40 48 1 0 25 49 1 0 40 50 1 0 4 51 1 0 3 4 1 0 52 53 1 0 2 53 2 0 1 53 2 0 54 5 1 0 51 54 1 0 55 3 1 0 53 55 1 0
A 3 Gal A 4 Man A 51 Glc S SKP 6 AUTODRAW FALSE ID EEL3012 FORMULA C46H94O6S EXACTMASS 774.67711143 AVERAGEMASS 775.30096 SMILES C(CCCC(CCCC(CCCC(CCOCC([H])(OCCC(CCCC(C)CCCC(CCCC(C)C)C)C)COCCCS(O)(=O)=O)C)C)C)(C)C M END
