Mol:EEL1035
Copyright: ARM project http://www.metabolome.jp/
111115 0 0 0 0 0 0 0 0999 V2000
-13.0128 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4018 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7907 2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1313 2.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2151 0.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4045 1.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9916 2.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3573 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9285 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4997 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7852 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0709 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6419 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2132 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3810 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7466 0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0321 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3178 0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6034 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8891 0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7509 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7852 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0321 -0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 3.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 -0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0128 0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4844 -0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3373 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5543 -2.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2565 1.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4145 -1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7803 -2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0659 -1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 -2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -1.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9227 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9694 -0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4222 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7879 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0734 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3591 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6447 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9304 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9357 3.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 3.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 3.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0658 -1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0732 2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 3.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 3.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 -1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7174 1.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0881 -0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0881 0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 -0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -1.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -2.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -1.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1575 -0.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4200 -2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3986 -2.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1310 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4200 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3986 -1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1310 -1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1147 -2.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2636 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1344 -3.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1147 -3.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4200 -1.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2634 -0.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2561 -2.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4312 -2.8879 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4312 -2.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4312 -3.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6062 -2.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4439 -2.8824 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 6 1 0 2 5 1 0 7 4 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 21 20 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 42 43 1 0 43 44 1 0 44 45 1 0 43 46 1 0 47 45 1 0 48 47 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 54 53 1 0 55 54 1 0 56 55 1 0 57 56 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 46 58 1 0 49 69 1 0 53 70 1 0 57 71 1 0 60 72 1 0 64 73 1 0 68 74 1 0 57 75 1 0 68 76 1 0 42 77 1 0 40 76 1 0 41 75 1 0 78 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 78 82 1 0 27 79 1 0 28 82 1 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 83 87 1 0 64 83 1 0 63 86 1 0 88 89 1 0 89 90 1 0 90 91 1 0 91 92 1 0 88 92 1 0 52 91 1 0 53 88 1 0 43 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
101105 1 0
96 1 1 0
106107 1 0 107108 2 0 107109 2 0 107110 1 0 111106 1 0 111 95 1 0 A 111 Gl^c S SKP 6 AUTODRAW FALSE ID EEL1035 FORMULA C93H178O15S EXACTMASS 1567.288645716 AVERAGEMASS 1568.4654200000002 SMILES CC(C5)CCCC(C)CCCC(CCCC(CCOCC(OCCC(C)CCCC(C2)CC(C(CCCC(C)CCC(C)CCCC(C)C(C3)CCC(CCCC(CCOCC([H])(CO)OCCC(C)CCCC(C4)CC(C(C)CCCC(C5)C)C4)C)3)C)C2)(COC(C(O)1)C(C(O)C1OCOS(O)(=O)=O)(O)CO)[H])C)C M END
