Mol:EEL0150
Copyright: ARM project http://www.metabolome.jp/
101105 0 0 0 0 0 0 0 0999 V2000
13.0788 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5504 -0.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4033 -2.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6203 -2.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3224 0.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4805 -2.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 -3.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1318 -2.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4174 -3.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 -2.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 -1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 -1.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4881 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8538 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9963 0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 2.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2871 1.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5727 2.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8581 1.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 2.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1317 -1.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0349 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1771 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1392 1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 3.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7834 0.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7354 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7354 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1644 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1644 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8179 -1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8179 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5317 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 -1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2234 -1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0788 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3102 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1639 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3814 3.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9370 0.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2414 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6075 3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8929 3.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1787 3.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4639 3.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7499 3.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7952 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 1.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6523 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2468 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6128 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8980 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1839 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4692 -0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7552 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7592 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9015 -1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8921 2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9367 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8973 -1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 -2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 -2.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5423 -2.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4934 -1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9229 -0.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9224 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5783 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5788 3.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2928 3.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0078 3.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0073 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9833 1.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7173 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6552 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5301 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7051 -2.6456 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7051 -1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7051 -3.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8801 -2.6456 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 5 1 0 6 4 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 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 5 17 1 0 8 28 1 0 12 29 1 0 16 30 1 0 19 31 1 0 23 32 1 0 27 33 1 0 1 34 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 35 39 1 0 23 35 1 0 22 38 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 40 44 1 0 11 43 1 0 12 40 1 0 2 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 51 49 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 69 68 1 0 70 69 1 0 71 70 1 0 72 71 1 0 50 62 1 0 53 73 1 0 57 74 1 0 61 75 1 0 64 76 1 0 68 77 1 0 72 78 1 0 46 79 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 68 80 1 0 67 83 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 85 89 1 0 56 88 1 0 57 85 1 0 47 90 1 0 61 91 1 0 72 92 1 0 27 93 1 0 16 94 1 0 92 94 1 0 91 93 1 0 79 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 EEL0150 FORMULA C88H168O10S EXACTMASS 1417.235822286 AVERAGEMASS 1418.33552 SMILES C(C5)C(CCCC(C)C(C1)CCC(CCCC(C)CCOCC(OCCC(CCCC(C2)CC(C(CCCC(C)CCC(C)CCCC(C(C3)CCC(CCCC(C)CCOCC(OCCC(CCCC(C4)CCC4C(CCCC5C)C)C)([H])CO)3)C)C)C2)C)(COCCOS(O)(=O)=O)[H])1)C M END
