Mol:EEL0154
Copyright: ARM project http://www.metabolome.jp/
101109 0 0 0 0 0 0 0 0999 V2000
3.9792 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 -2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5505 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 -2.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2313 1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 2.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 2.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3932 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 1.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 2.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 2.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3859 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6715 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8139 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -2.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5486 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5491 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9775 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6335 2.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3479 3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0629 2.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0624 2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4072 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5421 -0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9717 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1155 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1155 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4017 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6865 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6865 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8302 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5442 0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9264 -3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9264 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3552 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3552 -3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -4.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7458 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0880 -2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 -3.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5319 -1.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2609 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9607 -0.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2307 -2.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9706 -3.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2528 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2528 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8238 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8238 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9676 4.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8564 3.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7043 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0461 2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2135 3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4905 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2609 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9197 -1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1889 2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0947 -1.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9790 -1.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7257 -1.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9007 -1.9897 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9007 -1.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9007 -2.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0757 -1.9897 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 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 1 11 1 0 5 12 1 0 6 13 1 0 10 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 15 19 1 0 6 15 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 24 1 0 1 20 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 25 35 1 0 29 36 1 0 30 37 1 0 34 38 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 30 39 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 44 48 1 0 25 44 1 0 29 49 1 0 34 50 1 0 10 51 1 0 5 52 1 0 50 52 1 0 49 51 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 18 53 1 0 56 58 1 0 58 59 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 42 64 1 0 61 65 1 0 65 66 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 23 67 1 0 70 72 1 0 73 74 1 0 74 75 1 0 73 76 1 0 73 77 1 0 77 78 1 0 73 79 1 0 59 76 1 0 72 80 1 0 75 80 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 81 85 1 0 47 85 1 0 82 86 1 0 86 87 1 0 88 89 1 0 89 90 1 0 88 91 1 0 88 92 1 0 92 93 1 0 88 94 1 0 91 66 1 0 90 87 1 0 93 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 EEL0154 FORMULA C88H160O10S EXACTMASS 1409.1732220299998 AVERAGEMASS 1410.272 SMILES S(O)(=O)(=O)OCCOCC(O8)([H])COCCC(C1)CCC1C(C2)CCC2C(C)CCCC(CCC(C)CCCC(C)C(C3)CCC(C(C4)CC(CCOC(CO)([H])COCCC(C5)CCC5C(C6)CCC(C(CCCC(C)CCC(C)CCCC(C)C(C7)CCC7C(C9)CC(C9)CC8)C)6)C4)3)C M END
