Mol:LBGACN4G01
Copyright: ARM project http://www.metabolome.jp/
98102 0 0 0 0 0 0 0 0999 V2000 13.1404 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4338 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2867 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5037 -3.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2058 0.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3639 -2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7296 -3.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0152 -2.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3008 -3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5863 -2.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7752 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3715 0.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0227 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3084 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5940 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8848 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0271 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0151 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0226 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 2.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 1.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 -2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4151 -3.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1303 -2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1303 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1068 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1404 -0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4268 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2805 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4980 3.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0536 0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3580 2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7241 3.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0095 2.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2953 3.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5805 2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8665 3.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9118 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1977 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7689 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3634 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7294 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0146 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3005 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5858 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8718 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8758 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1618 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7327 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0087 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9111 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0139 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 -2.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0174 -2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6589 -2.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3246 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0395 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6949 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6954 2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4094 3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1244 2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1239 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0999 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3346 -2.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8460 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9129 1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8621 1.9365 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 1 34 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 35 39 1 0 23 35 1 0 22 38 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 40 44 1 0 11 43 1 0 12 40 1 0 2 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 51 49 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 69 68 1 0 70 69 1 0 71 70 1 0 72 71 1 0 50 62 1 0 53 73 1 0 57 74 1 0 61 75 1 0 64 76 1 0 68 77 1 0 72 78 1 0 46 79 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 68 80 1 0 67 83 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 85 89 1 0 56 88 1 0 57 85 1 0 47 90 1 0 61 91 1 0 72 92 1 0 27 93 1 0 16 94 1 0 92 94 1 0 91 93 1 0 79 95 1 0 95 96 1 0 34 97 1 0 97 98 1 0
A 95 Gal A 96 Glc A 97 Gal A 98 Glc S SKP 5 ID LBGACN4G01 FORMULA EXACTMASS AVERAGEMASS SMILES M END
