Mol:LBGAAN2S06
Copyright: ARM project http://www.metabolome.jp/
106105 0 0 0 0 0 0 0 0999 V2000
-7.2923 1.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3354 2.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 1.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1817 2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 3.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 4.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9952 2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 3.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 3.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1372 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7086 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0067 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7211 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5266 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4741 1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1887 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3317 1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0462 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7606 1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 2.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 2.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 2.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 2.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7606 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8644 4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4751 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3258 1.6778 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.3401 0.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3287 -0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0081 0.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7727 0.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9099 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9052 0.1025 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8961 -1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5273 -3.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8841 -2.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2731 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 -0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 -2.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8869 -1.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4466 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8632 -3.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3428 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2006 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6293 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 -3.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3428 -4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2006 -4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 -4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1621 -0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7727 -2.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 -2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8970 -0.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 9 1 0 5 8 1 0 10 7 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 8 25 1 0 12 40 1 0 16 41 1 0 20 42 1 0 24 43 1 0 27 44 1 0 31 45 1 0 35 46 1 0 39 47 1 0 24 48 1 0 39 49 1 0 50 3 1 0 2 50 1 0 1 50 2 0 50 51 1 0 55 56 1 0 54 56 2 0 53 56 2 0 58 59 1 0 59 60 1 0 60 61 1 0 59 63 1 0 59 62 1 0 64 61 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 72 71 1 0 73 72 1 0 74 73 1 0 75 74 1 0 76 75 1 0 77 76 1 0 78 77 1 0 80 79 1 0 81 80 1 0 82 81 1 0 83 82 1 0 84 83 1 0 85 84 1 0 86 85 1 0 87 86 1 0 88 87 1 0 89 88 1 0 90 89 1 0 91 90 1 0 92 91 1 0 93 92 1 0 62 79 1 0 66 94 1 0 70 95 1 0 74 96 1 0 78 97 1 0 81 98 1 0 85 99 1 0 89100 1 0 93101 1 0 78102 1 0 93103 1 0 57104 1 0 52104 1 0 51 52 1 0
104105 1 0 105 58 1 0
56106 1 0
106 57 1 0 A 57 Man A 104 Glc S SKP 6 AUTODRAW FALSE ID LBGAAN2S06 FORMULA C88H179O14PS EXACTMASS 1523.275317636 AVERAGEMASS 1524.3942210000002 SMILES C(CC(CCCC(CCCC(CCOC(COCCC(C)CCCC(C)CCCC(CCCC(C)C)C)([H])COC(OOP(OCC([H])(COCCC(C)CCCC(CCCC(CCCC(C)C)C)C)OCCC(C)CCCC(C)CCCC(CCCC(C)C)C)(O)=O)COS(O)(=O)=O)C)C)C)CC(C)C M END
