Mol:EEL0148
Copyright: ARM project http://www.metabolome.jp/
101103 0 0 0 0 0 0 0 0999 V2000
-13.0747 -0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3812 0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7701 1.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1108 2.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1945 0.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3839 1.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9710 2.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3367 2.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6224 2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9080 2.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1934 2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 2.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0503 2.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3357 2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6213 2.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 2.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 2.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0491 2.1837 0.0000 C 0 0 0 0 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-2.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8822 -2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0747 1.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4638 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8529 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1937 -1.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2771 0.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -0.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0540 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 -1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 -1.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9910 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 -1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8476 -1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1333 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4187 -1.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9899 -1.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2756 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 -1.0598 0.0000 C 0 0 0 0 0 0 0 0 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0 0.3841 2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7793 2.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3538 0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6385 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6385 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1192 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1192 2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8731 -2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7048 -2.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8798 -2.5986 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.8798 -1.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8798 -3.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0549 -2.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 6 1 0 2 5 1 0 7 4 1 0 8 7 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 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 1 42 1 0 42 43 1 0 44 45 1 0 45 46 1 0 46 47 1 0 45 49 1 0 45 48 1 0 50 47 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 72 71 1 0 73 72 1 0 74 73 1 0 75 74 1 0 48 65 1 0 52 76 1 0 56 77 1 0 60 78 1 0 64 79 1 0 67 80 1 0 71 81 1 0 75 82 1 0 64 83 1 0 75 84 1 0 44 85 1 0 40 84 1 0 41 83 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 1 0 86 90 1 0 27 87 1 0 28 90 1 0 91 92 1 0 92 93 1 0 93 94 1 0 94 95 1 0 91 95 1 0 71 91 1 0 70 94 1 0 43 96 1 0 97 98 1 0 98 99 2 0 98100 2 0 98101 1 0 96 97 1 0
A 43 Gal A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL0148 FORMULA C88H172O10S EXACTMASS 1421.2671224140001 AVERAGEMASS 1422.36728 SMILES C(C3)(CCCC(C)CCCC(C)CCCC(C)CCC(CCCC(C)C(C1)CC(CCCC(CCOC([H])(COCCC(C)CCCC(C)CCCC(C)CCCC(CCC(C)CCCC(C(C2)CC(CCCC(CCOC(COCCOS(O)(=O)=O)([H])COC3)C)C2)C)C)CO)C)C1)C)C M END
