Mol:EEL3054
Copyright: ARM project http://www.metabolome.jp/
99 98 0 0 0 0 0 0 0 0999 V2000 12.0268 1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8518 1.5443 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8518 2.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8518 0.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9825 -2.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4516 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0328 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5018 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0829 0.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2467 -1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2759 -0.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0233 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3088 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5946 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8802 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1658 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4514 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0227 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3082 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5937 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8795 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4508 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7363 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4126 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6981 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9839 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2696 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5552 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8408 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1265 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6975 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9831 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1256 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5946 1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8795 1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9839 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1265 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1562 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 0.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2064 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7876 -0.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9514 1.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9806 0.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7280 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0135 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2993 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5849 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8705 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1561 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8697 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2734 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1173 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4028 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6886 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5455 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6878 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2592 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2993 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2734 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6886 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 -0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 1.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5018 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 2 5 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 12 1 0 8 11 1 0 13 10 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 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 43 42 1 0 11 29 1 0 15 44 1 0 19 45 1 0 23 46 1 0 31 47 1 0 35 48 1 0 39 49 1 0 43 50 1 0 51 52 1 0 52 53 1 0 53 54 1 0 52 56 1 0 52 55 1 0 57 54 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 74 73 1 0 75 74 1 0 76 75 1 0 77 76 1 0 78 77 1 0 79 78 1 0 80 79 1 0 81 80 1 0 82 81 1 0 83 82 1 0 84 83 1 0 85 84 1 0 86 85 1 0 87 86 1 0 55 73 1 0 59 88 1 0 63 89 1 0 67 90 1 0 71 91 1 0 75 92 1 0 79 93 1 0 83 94 1 0 87 95 1 0 43 72 1 0 28 96 1 0 87 96 1 0 71 97 1 0 51 1 1 0 27 98 1 0 4 99 1 0
A 99 Ino S SKP 6 AUTODRAW FALSE ID EEL3054 FORMULA C87H177O9P EXACTMASS 1397.313023772 AVERAGEMASS 1398.304641 SMILES C(COP(OC)(O)=O)([H])(OCCC(C)CCCC(CCCC(CCCC(CCC(CCCC(CCCC(C)CCCC(CCOCC(CO)([H])OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)C)C)C)C)C)C)COCCC(C)CCCC(CCCC(C)CCCC(C)C)C M END
