Mol:EEL3012
Copyright: ARM project http://www.metabolome.jp/
54 53 0 0 0 0 0 0 0 0999 V2000 -8.9087 0.1235 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.8540 0.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8832 0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9133 1.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9053 -0.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5872 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9348 -0.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8023 -0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1913 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 1.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6158 -0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8139 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3857 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8144 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5289 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4244 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8533 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9963 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4252 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8139 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5289 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4244 -1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 -1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8540 -0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 3 1 2 0 4 1 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 13 1 0 9 12 1 0 14 11 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 26 25 1 0 27 26 1 0 28 27 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 41 40 1 0 42 41 1 0 43 42 1 0 12 29 1 0 16 44 1 0 20 45 1 0 24 46 1 0 28 47 1 0 31 48 1 0 35 49 1 0 39 50 1 0 43 51 1 0 28 52 1 0 43 53 1 0 6 7 1 0 5 6 1 0 1 5 1 0 54 8 1 0 7 54 1 0
A 5 Gal A 6 Man A 7 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
