Mol:EEL1033
Copyright: ARM project http://www.metabolome.jp/
111113 0 0 0 0 0 0 0 0999 V2000
-13.4166 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7405 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8391 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7687 3.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5399 0.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6289 3.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9947 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2805 3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5661 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8515 3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1371 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4227 3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9936 3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2793 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1363 3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8021 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1678 0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4534 -0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7390 0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0245 -0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3102 0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5318 -0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 -0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 -0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2805 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4227 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4534 -1.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5318 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 3.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4166 2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8057 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1948 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 -0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6190 1.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 0.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7616 -0.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6183 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1895 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4752 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7606 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0462 -0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3319 -0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 -0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1887 -0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4741 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7848 2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1506 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4361 2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7218 1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0072 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 3.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 3.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 3.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 3.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 3.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0472 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3318 0.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4739 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4359 3.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 4.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 4.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -0.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 3.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1212 2.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5094 -1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5094 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 3.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4611 2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4611 3.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8024 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0267 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9679 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9678 -3.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9464 -3.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6789 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9678 -3.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9464 -2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6789 -2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6626 -3.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8115 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6823 -4.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6626 -3.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9678 -2.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8113 -1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1214 -3.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9541 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1292 -3.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1292 -2.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1292 -4.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3042 -3.3875 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 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 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 5 21 1 0 8 32 1 0 12 33 1 0 16 34 1 0 20 35 1 0 23 36 1 0 27 37 1 0 31 38 1 0 20 39 1 0 31 40 1 0 41 42 1 0 42 43 1 0 43 44 1 0 42 46 1 0 42 45 1 0 47 44 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 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 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 45 62 1 0 49 73 1 0 53 74 1 0 57 75 1 0 61 76 1 0 64 77 1 0 68 78 1 0 72 79 1 0 61 80 1 0 72 81 1 0 41 82 1 0 39 81 1 0 40 80 1 0 83 84 1 0 26 84 1 0 27 85 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 1 0 86 90 1 0 68 86 1 0 67 89 1 0 84 91 1 0 85 92 1 0 92 91 1 0 2 93 1 0
100 94 1 1
99 94 1 1 98100 1 1 98 95 1 0 99 96 1 0 94 97 1 0
101 98 1 0
99101 1 0 97102 1 0
100103 1 0
94104 1 0 96 1 1 0
101105 1 0
95106 1 0
107108 1 0 108109 2 0 108110 2 0 108111 1 0 106107 1 0 A 106 Glc S SKP 6 AUTODRAW FALSE ID EEL1033 FORMULA C93H182O15S EXACTMASS 1571.3199458440001 AVERAGEMASS 1572.49718 SMILES C(C(C)1)CCC(CCOC(COC(C(O)3)C(O)(CO)C(C(OCOS(O)(=O)=O)3)O)([H])COCCC(C)CCCC(CCCC(C)CCCC(CCC(CCCC(C(C2)CC(C2)CCCC(CCOC(COCCC(CCCC(C)CCCC(CCCC(CCC(CCCC(C)CCC1)C)C)C)C)(CO)[H])C)C)C)C)C)C M END
