Mol:FL3FCKGS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
− | 1.5888 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5888 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5888 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5888 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3033 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3033 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0178 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0178 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0178 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0178 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3033 2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3033 2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8744 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8744 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1599 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1599 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5546 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5546 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5546 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5546 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1599 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1599 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8744 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8744 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2691 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2691 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9835 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9835 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9835 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9835 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2691 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2691 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1599 -1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1599 -1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6980 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6980 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2691 -1.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2691 -1.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7322 2.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7322 2.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3033 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3033 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7322 0.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7322 0.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4467 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4467 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4467 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4467 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3558 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3558 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9637 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9637 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5512 -2.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5512 -2.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7531 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7531 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9598 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9598 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3723 -1.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3723 -1.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1704 -1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1704 -1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3273 -1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3273 -1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8070 -0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8070 -0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4467 -2.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4467 -2.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9997 -2.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9997 -2.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9245 -2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9245 -2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
− | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
− | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
− | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
− | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
− | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FCKGS0001 | + | ID FL3FCKGS0001 |
− | KNApSAcK_ID C00013719 | + | KNApSAcK_ID C00013719 |
− | NAME Lethedoside C;Tricetin 7,3',4'-trimethyl eter 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | + | NAME Lethedoside C;Tricetin 7,3',4'-trimethyl eter 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one |
− | CAS_RN 221289-30-1 | + | CAS_RN 221289-30-1 |
− | FORMULA C24H26O12 | + | FORMULA C24H26O12 |
− | EXACTMASS 506.142426296 | + | EXACTMASS 506.142426296 |
− | AVERAGEMASS 506.45604 | + | AVERAGEMASS 506.45604 |
− | SMILES O(C(C4O)OC(CO)C(O)C4O)c(c3)c(c(cc3OC)2)C(=O)C=C(O2)c(c1)cc(O)c(c1OC)OC | + | SMILES O(C(C4O)OC(CO)C(O)C4O)c(c3)c(c(cc3OC)2)C(=O)C=C(O2)c(c1)cc(O)c(c1OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 1.5888 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 -1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -1.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 2.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 0.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9637 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 -2.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7531 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 -1.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3273 -1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 -2.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9997 -2.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 -2.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 18 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 19 1 0 0 0 0 S SKP 8 ID FL3FCKGS0001 KNApSAcK_ID C00013719 NAME Lethedoside C;Tricetin 7,3',4'-trimethyl eter 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one CAS_RN 221289-30-1 FORMULA C24H26O12 EXACTMASS 506.142426296 AVERAGEMASS 506.45604 SMILES O(C(C4O)OC(CO)C(O)C4O)c(c3)c(c(cc3OC)2)C(=O)C=C(O2)c(c1)cc(O)c(c1OC)OC M END