Mol:EEL3019
Copyright: ARM project http://www.metabolome.jp/
49 48 0 0 0 0 0 0 0 0999 V2000 -7.3123 -0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9036 -0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2924 -0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6814 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 -0.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 0.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2478 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6098 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7533 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4677 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0399 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 -0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9362 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6506 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0399 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6506 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3651 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3651 -0.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9714 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 8 5 1 0 9 8 1 0 10 9 1 0 11 10 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 24 23 1 0 25 24 1 0 26 25 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 6 23 1 0 10 38 1 0 14 39 1 0 18 40 1 0 22 41 1 0 25 42 1 0 29 43 1 0 33 44 1 0 37 45 1 0 22 46 1 0 37 47 1 0 1 48 1 0 49 2 1 0 49 1 1 0
A 1 Gal A 48 Glc S SKP 6 AUTODRAW FALSE ID EEL3019 FORMULA C45H92O3 EXACTMASS 680.70464681 AVERAGEMASS 681.21018 SMILES C(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)C(COCC)(OCCC(CCCC(C)CCCC(CCCC(C)C)C)C)[H] M END
