Mol:EEL1013
Copyright: ARM project http://www.metabolome.jp/
101106 0 0 0 0 0 0 0 0999 V2000
10.8167 -2.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1824 -3.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 -2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7536 -3.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0392 -2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3249 -3.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3377 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1945 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4679 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3712 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 2.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 2.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7855 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5007 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5007 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6871 -0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9735 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8272 2.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0447 3.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6003 0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9047 2.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2708 3.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5562 2.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8421 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1273 2.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4133 3.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4587 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3158 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9101 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2761 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5613 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8473 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1326 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4186 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4227 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7087 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5554 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5606 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5643 -2.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2056 -2.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1569 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1574 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8714 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5858 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2422 2.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9562 3.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6712 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6707 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6466 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7993 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3806 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3185 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6496 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6496 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3642 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0785 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8936 -3.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6871 -2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6257 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1733 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9867 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 -1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8027 1.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9879 1.1642 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9879 1.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9879 0.3392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 1.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3379 1.1642 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 32 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 37 35 1 0 38 37 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 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 36 48 1 0 39 59 1 0 43 60 1 0 47 61 1 0 50 62 1 0 54 63 1 0 58 64 1 0 32 65 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 66 70 1 0 54 66 1 0 53 69 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 71 75 1 0 42 74 1 0 43 71 1 0 33 76 1 0 47 77 1 0 58 78 1 0 16 79 1 0 11 80 1 0 78 80 1 0 77 79 1 0 65 81 1 0 81 82 1 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 83 87 1 0 25 83 1 0 86 88 1 0 88 89 1 0 1 90 1 0 90 91 1 0 92 93 1 0 93 95 1 0 93 94 1 0 89 94 1 0 91 93 1 0 96 97 1 0 97 98 2 0 97 99 1 0 97100 1 0
100101 1 0
96 92 1 0
A 81 Gal A 82 Glc A 101 Ino S SKP 6 AUTODRAW FALSE ID EEL1013 FORMULA C89H169O9P EXACTMASS 1413.250423516 AVERAGEMASS 1414.2625209999999 SMILES C(C6)CC(CCC(CCCC(C(C1)CC(C(C2)CC(CCOC(COCCC(CCCC(C3)CCC3C(C)CCCC(CCC(CCCC(C(C4)CCC4CCCC(CCOC(COCC)(COCCC(CCCC(C5)CCC(C6C)5)C)[H])C)C)C)C)C)(COP(OC)(O)=O)[H])C2)C1)C)C)C M END
