Mol:FL7AACGL0122
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 132143 0 0 0 0 0 0 0 0999 V2000 -1.6429 3.6987 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 4.5237 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 3.2862 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 3.0180 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0313 0.7182 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9285 4.9362 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 4.9362 -2.4048 O 0 3 0 0 0 6 0 0 0 0 0 0 -3.0719 3.6987 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 2.1930 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 0.3058 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9285 5.7612 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 4.5237 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0719 4.5237 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 3.2862 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 1.7805 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 1.7805 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -0.5193 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4603 0.7183 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 6.1737 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 4.9362 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 4.9362 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 2.4611 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5009 3.6987 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 0.9555 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4603 -0.9318 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 -0.7750 -2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 5.7612 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 6.9987 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5009 4.5237 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 0.5429 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4603 -1.7568 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 -0.6760 -2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 6.1737 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2153 4.9362 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -0.2820 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 0.9555 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 -2.1693 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -2.1693 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 -0.6945 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 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8.2221 4.2734 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9365 4.6859 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7274 5.4840 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9365 6.2772 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2221 5.8648 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4311 5.0667 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 6.0674 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4356 3.4765 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9365 3.8609 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7166 4.6542 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 3.8573 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 6 1 0 2 7 2 0 3 8 1 0 4 9 2 0 5 10 1 0 6 11 1 0 6 12 2 0 7 13 1 0 8 13 2 0 8 14 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 2 0 11 19 2 0 12 20 1 0 13 21 1 0 14 22 1 0 14 23 2 0 15 24 2 0 17 25 2 0 17 26 1 0 19 27 1 0 19 28 1 0 20 27 2 0 21 29 2 0 23 29 1 0 24 30 1 0 25 31 1 0 25 32 1 0 27 33 1 0 29 34 1 0 30 35 1 0 30 36 2 0 31 37 1 0 31 38 2 0 35 39 2 0 36 40 1 0 37 41 2 0 38 42 1 0 39 43 1 0 39 44 1 0 40 43 2 0 41 45 1 0 41 46 1 0 42 45 2 0 43 48 1 0 45 49 1 0 46 50 1 0 51 52 1 0 52 53 1 0 52 54 2 0 53 55 2 0 55 56 1 0 56 57 1 0 56 58 2 0 57 59 2 0 58 60 1 0 59 61 1 0 59 62 1 0 60 61 2 0 61 63 1 0 42 64 1 0 64 65 1 0 47 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 66 70 2 0 68 71 2 0 72 73 1 1 74 73 1 1 75 74 1 1 75 76 1 0 76 77 1 0 77 72 1 0 74 78 1 0 72 79 1 0 73 80 1 0 77 81 1 0 47 81 1 0 22 75 1 0 82 83 1 1 84 83 1 1 85 84 1 1 85 86 1 0 86 87 1 0 87 82 1 0 84 88 1 0 82 89 1 0 83 90 1 0 87 91 1 0 91 92 1 0 49 85 1 0 94 95 1 1 96 95 1 1 97 96 1 1 97 98 1 0 98 99 1 0 99 94 1 0 97 93 1 0 96100 1 0 94101 1 0 95102 1 0 99103 1 0 104105 1 0 105106 1 1 106107 1 1 108107 1 1 108109 1 0 109104 1 0 109110 1 0 108111 1 0 100105 1 0 5103 1 0 93 1 1 0 16104 1 0 113114 1 0 114115 1 1 115116 1 1 117116 1 1 117118 1 0 118113 1 0 113119 1 0 118120 1 0 117121 1 0 116112 1 0 112 48 1 0 51114 1 0 122123 1 1 124123 1 1 125124 1 1 125126 1 0 126127 1 0 127122 1 0 124128 1 0 122129 1 0 123130 1 0 127131 1 0 131132 1 0 63125 1 0 M CHG 1 7 1 S SKP 9 AUTODRAW FALSE ID FL7AACGL0122 KNApSAcK_ID NAME OVA 3 CAS_RN 865377-16-8 FORMULA C82H93O48 EXACTMASS 1845.4836298320001 AVERAGEMASS 1846.58702 SMILES C(=CC(OC(C%12O)OC(C(C%12O)O)COc(c(O)%11)ccc(c%11)C=CC(=O)OC(C3OC(C(O)4)C(Oc(c9)c(c(c%10)cc(O)c(O)c%10)[o+1]c(c79)cc(O)cc7OC(O8)C(O)C(C(O)C8COC(=O)CC(O)=O)O)OC(COC(=O)C([H])=C([H])c(c6)cc(c(c(OC)6)OC(C(O)5)OC(C(O)C5O)CO)OC)C4O)C(C(O)CO3)O)=O)c(c2)cc(c(c2)OC(C(O)1)OC(C(O)C(O)1)CO)O M END