Mol:EEL1036
Copyright: ARM project http://www.metabolome.jp/
111116 0 0 0 0 0 0 0 0999 V2000
13.0513 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3758 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5928 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4530 -2.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8187 -2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1043 -2.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3899 -2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6754 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9611 -2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4606 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8263 1.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3975 1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6831 1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9688 1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 2.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 2.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 2.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 2.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 2.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1117 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 3.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 3.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7559 1.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1369 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1369 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7904 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7904 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2194 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2194 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1959 -0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0513 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3377 1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1914 3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4089 3.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9645 1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2689 3.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6350 4.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9204 3.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2062 4.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4914 3.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7774 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 2.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 2.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2743 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6403 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9255 0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2114 0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4967 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7827 0.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7867 -1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9196 2.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9248 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -2.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5209 -0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2355 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9504 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9499 -0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6058 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 4.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0353 3.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0348 2.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0108 2.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4018 2.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3956 -2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3742 -3.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1067 -1.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3956 -3.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3742 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1067 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0904 -2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2393 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1101 -4.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0904 -3.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3956 -2.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2391 -0.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2312 -3.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 -3.2009 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 -2.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 -4.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 -3.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4190 -3.1954 0.0000 C 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 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 68 79 1 0 67 82 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 56 87 1 0 57 84 1 0 47 89 1 0 61 90 1 0 72 91 1 0 27 92 1 0 16 93 1 0 91 93 1 0 90 92 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 46 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 EEL1036 FORMULA C93H176O15S EXACTMASS 1565.272995652 AVERAGEMASS 1566.44954 SMILES C(C4)(C)CCCC(C(C1)CCC(CCCC(C)CCOCC(OCCC(CCCC(C3)CCC3C(CCCC(C)CCC(C)CCCC(C)C(C6)CC(C6)CCCC(CCOCC([H])(OCCC(C)CCCC(C5)CC(C5)C(CCCC(C4)C)C)CO)C)C)C)(COC(C(O)(CO)2)C(C(OCOS(O)(=O)=O)C2O)O)[H])1)C M END
