Mol:FL7AACGL0062
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 84 91 0 0 0 0 0 0 0 0999 V2000 -3.6368 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6368 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 1.0956 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.0635 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3512 1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 2.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 -1.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 -0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 -0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3546 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 -0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2938 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -0.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 -1.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 -1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4501 -0.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 3.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1151 -3.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6539 -2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 -2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 -2.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1032 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 -3.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 -3.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9248 -2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2756 -1.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 -0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 -3.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -3.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 -2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2503 -2.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -3.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 0.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8986 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 2.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 3.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 4.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3238 3.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 5.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 0.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 -2.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0916 -3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 -2.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 -3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 -3.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 -3.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 -2.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 -2.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 -3.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2756 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9071 -0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6359 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0195 -4.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8703 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6965 -2.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6359 0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3237 0.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -4.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -5.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 15 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 36 40 1 0 0 0 0 40 41 1 0 0 0 0 34 19 1 0 0 0 0 25 42 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 20 21 1 0 0 0 0 27 46 1 0 0 0 0 50 45 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 55 1 0 0 0 0 58 61 1 0 0 0 0 62 51 1 0 0 0 0 62 42 1 0 0 0 0 50 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 67 1 0 0 0 0 70 73 1 0 0 0 0 41 74 1 0 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 44 77 1 0 0 0 0 78 79 1 0 0 0 0 71 78 1 0 0 0 0 80 82 1 0 0 0 0 80 81 2 0 0 0 0 76 80 1 0 0 0 0 83 84 1 0 0 0 0 69 83 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 78 79 M SBL 1 1 86 M SMT 1 OCH3 M SBV 1 86 -0.4032 -0.6984 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 80 81 82 M SBL 2 1 89 M SMT 2 COOH M SBV 2 89 0.0000 -0.7041 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 83 84 M SBL 3 1 91 M SMT 3 OCH3 M SBV 3 91 -0.6139 0.6139 S SKP 5 ID FL7AACGL0062 FORMULA C55H57O29 EXACTMASS 1181.298550862 AVERAGEMASS 1182.02368 SMILES c(c(O)7)c([o+1]1)c(c(OC(C(O)8)OC(C(O)C(O)8)COC(CC(O)=O)=O)c7)cc(OC(C(OC(C5OC(=O)C=Cc(c6)cc(OC)c(O)c(OC)6)OCC(C(O)5)O)3)OC(COC(C=Cc(c4)ccc(c4)O)=O)C(C3O)O)c1c(c2)cc(O)c(O)c2 M END