Mol:EEL1028
Copyright: ARM project http://www.metabolome.jp/
111116 0 0 0 0 0 0 0 0999 V2000
13.1786 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3955 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2485 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4655 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1676 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3257 -2.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6914 -2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 -2.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 -2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8338 -2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8803 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3333 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6990 1.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9845 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2702 1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5557 1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8415 1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 2.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 2.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 2.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 2.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 2.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9769 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0223 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 3.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 3.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2944 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3769 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0921 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0921 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0686 -0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1786 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4650 1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3187 3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5362 3.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0918 1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3962 3.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7623 4.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0477 3.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3336 4.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6187 3.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9047 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 2.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5212 2.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8071 2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4016 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7676 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0528 0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3388 0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 0.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 -0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0469 2.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9493 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0915 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0521 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9133 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 -2.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6487 0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3628 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0777 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0772 -0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7331 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7336 3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 4.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1626 3.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1621 2.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1381 2.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3422 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 2.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5229 -2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5016 -3.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2340 -1.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5229 -3.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5016 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2340 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2177 -2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3666 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2374 -4.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2177 -3.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5229 -2.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3664 -0.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7872 -3.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4229 2.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6081 2.7800 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6081 3.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6081 1.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7831 2.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9581 2.7800 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 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 34 38 1 0 23 34 1 0 22 37 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 11 42 1 0 12 39 1 0 2 44 1 0 45 46 1 0 46 47 1 0 47 48 1 0 46 49 1 0 50 48 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 49 61 1 0 52 72 1 0 56 73 1 0 60 74 1 0 63 75 1 0 67 76 1 0 71 77 1 0 78 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 78 82 1 0 67 78 1 0 66 81 1 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 83 87 1 0 55 86 1 0 56 83 1 0 46 88 1 0 60 89 1 0 71 90 1 0 27 91 1 0 16 92 1 0 90 92 1 0 89 91 1 0 99 93 1 1 98 93 1 1 97 99 1 1 97 94 1 0 98 95 1 0 93 96 1 0
100 97 1 0
98100 1 0 96101 1 0 99102 1 0 93103 1 0
100104 1 0
94105 1 0 95 45 1 0
106107 1 0 107108 2 0 107109 1 0 107110 1 0 110111 1 0
1106 1 0
A 105 Glc A 111 Ino S SKP 6 AUTODRAW FALSE ID EEL1028 FORMULA C94H179O14P EXACTMASS 1563.303246946 AVERAGEMASS 1564.392421 SMILES C(C3)C(C1)CC(C(CCCC(CCC(CCCC(C)C(C6)CC(C6)CCCC(CCOCC(COC(C(O)5)C(CO)(O)C(O)C5OC)([H])OCCC(C)CCCC(C4)CC(C4)C(C)CCCC(CCC(CCCC(C(C2)CCC2CCCC(CCOCC([H])(OCCC(C)C3)COP(OC)(O)=O)C)C)C)C)C)C)C)C)C1 M END
