Mol:EEL0161
Copyright: ARM project http://www.metabolome.jp/
106112 0 0 0 0 0 0 0 0999 V2000
8.7394 -2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1051 -3.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3907 -2.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 -3.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -2.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2477 -3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -2.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 -2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9946 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9946 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -2.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 -3.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -2.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9812 2.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3473 3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6327 2.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9185 3.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2038 2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4899 3.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5354 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8213 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1066 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3927 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4994 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7854 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0707 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6319 2.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5347 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4987 -2.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 -2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2335 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9481 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6630 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6625 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3184 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3189 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0329 3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7479 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7474 2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9278 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0012 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8162 -3.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6097 -2.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7067 -0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0959 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9093 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8003 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8003 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0866 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3714 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3714 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5150 0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2292 0.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4517 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8417 2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1832 2.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2650 1.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0753 -0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4270 -2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9518 1.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6087 -2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5995 -2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4379 -2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6129 -2.1052 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6129 -1.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6129 -2.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7880 -2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6004 -0.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4254 -0.4249 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.4254 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2503 -0.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4254 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0753 -0.4249 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 2 0 97100 1 0 95 96 1 0
101102 1 0 102103 2 0 102104 1 0 102105 1 0 104106 1 0
76101 1 0
A 94 Gal A 95 Glc A 106 Ino S SKP 6 AUTODRAW FALSE ID EEL0161 FORMULA C89H167O13PS EXACTMASS 1507.18650263 AVERAGEMASS 1508.310241 SMILES C(C5)C(C1)CCC1C(CCCC(CCC(C)CCCC(C(C2)CCC2C(C7)CC(C7)CCOC([H])(COP(O)(=O)OC)COCCC(CCCC(C3)CCC(C(C)CCCC(CCC(C)CCCC(C(C4)CC(C(C6)CC(C6)CCOC(COCCC(C5)C)([H])COCCOS(O)(=O)=O)C4)C)C)3)C)C)C)C M END
