Mol:EEL1038
Copyright: ARM project http://www.metabolome.jp/
111118 0 0 0 0 0 0 0 0999 V2000
10.3488 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 -2.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0002 -1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2858 -2.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5713 -1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -1.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 -1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8701 3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1558 2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 2.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0001 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8699 3.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 3.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 -1.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 -1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 -2.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -1.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3717 3.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7379 4.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0233 3.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3092 4.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5944 3.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8804 4.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9259 2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 2.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0684 2.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 -1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0225 3.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9252 1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 -1.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6246 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3387 0.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0536 0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0531 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7095 3.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4235 4.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1385 3.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 3.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 3.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 2.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 -1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4666 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1818 0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1818 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8964 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6107 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4256 -2.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2190 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3161 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7052 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5187 -0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7083 -0.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0207 1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1909 0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1909 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4771 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7619 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7619 0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9056 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6198 1.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8422 2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2322 3.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5737 3.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6555 2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3161 1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3423 2.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9208 -3.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8995 -3.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6319 -1.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9208 -3.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8995 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6319 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6157 -3.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7645 -1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6353 -4.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6157 -3.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9208 -2.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7643 -1.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7798 -3.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -3.3268 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -2.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -4.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 -3.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9676 -3.3213 0.0000 C 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 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 3 17 1 0 7 18 1 0 11 19 1 0 12 20 1 0 16 21 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 22 26 1 0 12 22 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 27 31 1 0 6 30 1 0 7 27 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 34 48 1 0 38 49 1 0 42 50 1 0 43 51 1 0 47 52 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 43 53 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 58 62 1 0 37 61 1 0 38 58 1 0 42 63 1 0 47 64 1 0 16 65 1 0 11 66 1 0 64 66 1 0 63 65 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 25 67 1 0 70 72 1 0 72 73 1 0 1 74 1 0 74 75 1 0 76 77 1 0 77 79 1 0 77 78 1 0 76 80 1 0 73 78 1 0 75 77 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 81 85 1 0 56 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 88 93 1 0 32 90 1 0 91 87 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
101105 1 0
96 92 1 0
106107 1 0 107108 2 0 107109 2 0 107110 1 0 111106 1 0
95111 1 0
A 111 Gl^c S SKP 6 AUTODRAW FALSE ID EEL1038 FORMULA C93H172O15S EXACTMASS 1561.241695524 AVERAGEMASS 1562.41778 SMILES C(C5C)CCC(C)C(C8)CC(C8)C(C1)CCC(CCOC(COC(C7O)C(O)(CO)C(C7OCOS(O)(=O)=O)O)(COCCC(CCCC(C2)CC(C(CCCC(CCC(C)CCCC(C)C(C3)CCC3C(C6)CC(C6)CCOC([H])(CO)COCCC(CCCC(C4)CC(C(CCCC(CC5)C)C)C4)C)C)C)C2)C)[H])1 M END
