Mol:EEL0146
Copyright: ARM project http://www.metabolome.jp/
101101 0 0 0 0 0 0 0 0999 V2000
-11.5128 2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6035 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8894 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1750 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4604 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0318 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3174 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6028 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1741 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6410 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0067 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2923 -0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5779 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8634 -0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1492 0.2346 0.0000 C 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4934 -0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7787 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0644 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3501 0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6358 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9212 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 -0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4925 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7781 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9452 2.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3109 2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5965 2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8822 2.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1676 2.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4536 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 2.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 2.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 2.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2075 0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3499 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4924 0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5963 3.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 3.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 2.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3485 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3485 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1356 0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 2.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6415 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8659 -0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1916 2.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 3.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9813 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3713 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7128 2.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7947 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4813 -0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9842 -2.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4813 2.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1809 3.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4508 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4815 1.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1659 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0501 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9880 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1630 -2.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.1630 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1630 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3380 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 7 6 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 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 3 27 1 0 7 28 1 0 11 29 1 0 15 30 1 0 18 31 1 0 22 32 1 0 26 33 1 0 15 34 1 0 26 35 1 0 36 37 1 0 37 38 1 0 36 39 1 0 40 38 1 0 41 40 1 0 42 41 1 0 43 42 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 48 47 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 39 55 1 0 42 66 1 0 46 67 1 0 50 68 1 0 54 69 1 0 57 70 1 0 61 71 1 0 65 72 1 0 54 73 1 0 65 74 1 0 34 74 1 0 35 73 1 0 75 76 1 0 21 76 1 0 22 77 1 0 79 80 1 0 61 78 1 0 60 80 1 0 76 81 1 0 77 82 1 0 82 81 1 0 79 83 1 0 83 78 1 0 80 84 1 0 85 86 1 0 86 87 1 0 85 88 1 0 16 88 1 0 1 87 1 0 85 89 1 0 89 90 1 0 36 91 1 0 91 92 1 0 36 93 1 0 85 94 1 0 90 95 1 0 95 96 1 0 96 97 1 0 97 98 1 0 98 99 2 0 98100 2 0 98101 1 0
A 95 Gal A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL0146 FORMULA C88H176O10S EXACTMASS 1425.2984225419998 AVERAGEMASS 1426.39904 SMILES C(C1)C(CCOC(COCCOS(O)(=O)=O)([H])COCCC(CCCC(CCCC(CCCC(C)CCC(C)CCCC(C)CCCC(CCCC(CCOC([H])(CO)COCCC(CCCC(CCCC(CCCC(CCC(C)CCCC(C)CCCC(C)C1)C)C)C)C)C)C)C)C)C)C M END
