Mol:EEL1014
Copyright: ARM project http://www.metabolome.jp/
101107 0 0 0 0 0 0 0 0999 V2000
10.4312 -2.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7969 -3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0825 -2.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3681 -3.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 -2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9394 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9861 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5572 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 -2.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5237 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0824 -2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9859 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 2.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0947 2.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6863 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6863 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1153 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1153 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 -2.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4826 -3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1978 -2.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1978 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2898 2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6559 3.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9413 2.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2271 3.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5124 2.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7984 3.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8439 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7011 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0939 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6649 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9405 2.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8432 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9855 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8072 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9496 -2.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5425 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2566 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9715 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6269 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6274 2.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0564 2.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0559 2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8352 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8352 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9787 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6930 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5080 -3.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3014 -2.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2476 0.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7877 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6011 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7907 -1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1089 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1089 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3951 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6799 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6799 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8236 0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5378 0.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7603 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1503 2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4918 2.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5736 1.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3014 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7356 -1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2604 1.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9173 -1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9081 -1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4865 1.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6717 1.3086 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6717 2.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6717 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8467 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0217 1.3086 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 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 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 34 48 1 0 38 49 1 0 42 50 1 0 43 51 1 0 47 52 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 43 53 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 58 62 1 0 37 61 1 0 38 58 1 0 42 63 1 0 47 64 1 0 16 65 1 0 11 66 1 0 64 66 1 0 63 65 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 25 67 1 0 70 72 1 0 72 73 1 0 1 74 1 0 74 75 1 0 76 77 1 0 77 79 1 0 77 78 1 0 73 78 1 0 75 77 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 56 84 1 0 81 85 1 0 85 86 1 0 87 88 1 0 88 89 1 0 87 90 1 0 87 91 1 0 91 92 1 0 87 93 1 0 92 94 1 0 32 89 1 0 90 86 1 0 94 95 1 0 96 97 1 0 97 98 2 0 97 99 1 0 97100 1 0
100101 1 0
96 76 1 0
A 94 Gal A 95 Glc A 101 Ino S SKP 6 AUTODRAW FALSE ID EEL1014 FORMULA C89H167O9P EXACTMASS 1411.234773452 AVERAGEMASS 1412.246641 SMILES C(C2)(C3)C(C)CCCC(CCC(CCCC(C)C(C7)CC(C7)CCCC(C)CCOCC([H])(COP(O)(=O)OC)OCCC(C6)CC(C6)C(C5)CC(C5)C(C)CCCC(CCC(CCCC(C)C(C4)CC(C4)CCCC(C)CCOCC(OCCC(C1)CCC1C2C3)(COCC)[H])C)C)C)C M END
