Mol:EEL1005
Copyright: ARM project http://www.metabolome.jp/
96101 0 0 0 0 0 0 0 0999 V2000 10.7684 -2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1341 -3.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4197 -2.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7053 -3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 -2.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2765 -3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2893 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4196 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 2.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 -2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 -3.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5348 -2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5348 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7359 -0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0223 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8760 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0935 3.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6491 0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9535 2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3196 3.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6050 2.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8908 3.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 3.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7932 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6495 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9589 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3249 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6101 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8960 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1813 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3282 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6042 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6094 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -2.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2544 -2.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9201 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6345 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2904 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0049 3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7199 2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6954 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1005 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4294 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3673 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1723 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1723 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8861 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6013 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6013 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3159 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0302 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8453 -3.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6388 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7359 -0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1250 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9384 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1280 -1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4405 0.3429 0.0000 O 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 92 96 1 0 89 94 1 0 91 93 1 0
A 81 Gal A 82 Glc S SKP 6 AUTODRAW FALSE ID EEL1005 FORMULA C88H166O6 EXACTMASS 1319.2684430440002 AVERAGEMASS 1320.2560400000002 SMILES C(C3C)CCC(C)CCC(C)CCCC(C)C(C1)CCC1C(C6)CC(C6)CCOC(COCCC(C)CCCC(C5)CC(C5)C(C)CCCC(CCC(C)CCCC(C)C(C2)CCC(CCCC(CCOC([H])(COCC)COCCC(C)CCCC(C4)CC3C4)C)2)C)(CO)[H] M END
