Mol:EEL0149
Copyright: ARM project http://www.metabolome.jp/
101104 0 0 0 0 0 0 0 0999 V2000
-13.0541 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3606 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7495 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0901 2.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1739 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3633 1.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9504 1.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3161 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6018 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8873 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1728 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4585 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0297 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3151 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6007 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8865 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0286 2.0264 0.0000 C 0 0 0 0 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-2.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0541 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5257 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3786 -1.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5956 -2.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2978 0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4558 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8216 -2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 -2.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3928 -2.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6783 -2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 -2.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2963 -1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -1.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8673 -1.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4635 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1147 1.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4004 0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 0.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 2.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5482 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8336 2.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1071 -1.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0105 -0.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1526 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1145 1.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 3.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 3.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4385 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7587 0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0469 -1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0469 -0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7109 1.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7109 1.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4245 0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1398 1.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1398 1.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 -1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 -2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1988 -0.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8514 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7893 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6428 -2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8179 -2.4414 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.8179 -1.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8179 -3.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9929 -2.4414 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 43 44 1 0 44 45 1 0 45 46 1 0 44 47 1 0 48 46 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 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 47 59 1 0 50 70 1 0 54 71 1 0 58 72 1 0 61 73 1 0 65 74 1 0 69 75 1 0 58 76 1 0 69 77 1 0 43 78 1 0 40 77 1 0 41 76 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 27 80 1 0 28 83 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 65 84 1 0 64 87 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 89 93 1 0 53 92 1 0 54 89 1 0 44 94 1 0 42 95 1 0 95 96 1 0 97 98 1 0 98 99 2 0 98100 2 0 98101 1 0 96 97 1 0
A 95 Gal A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL0149 FORMULA C88H170O10S EXACTMASS 1419.25147235 AVERAGEMASS 1420.3514 SMILES C(C)(C4)CCCC(CCCC(CCCC(C)CCC(C)CCCC(C(C1)CC(CCCC(CCOC([H])(CO)COCCC(CCCC(C2)CCC2C(C)CCCC(C)CCC(C)CCCC(C)C(C3)CCC3CCCC(C)CCOC(COC4)(COCCOS(O)(=O)=O)[H])C)C)C1)C)C)C M END
