Mol:FL3FAAGS0064
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
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− | -0.9176 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9176 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2032 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2032 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5113 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5113 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5113 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5113 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2032 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2032 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2258 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2258 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9403 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9403 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9403 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9403 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.6547 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6547 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3692 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3692 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0837 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0837 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0837 2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0837 2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3692 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3692 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6547 2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6547 2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 4.8300 3.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8300 3.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.5533 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5533 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7102 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7102 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1901 2.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1901 2.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8300 1.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8300 1.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3828 1.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3828 1.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3667 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3667 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7858 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7858 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6097 0.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6097 0.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3811 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3811 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5573 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5573 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1526 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1526 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5723 -1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5723 -1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1671 -2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1671 -2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3421 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3421 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9224 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9224 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3276 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3276 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9374 -3.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9374 -3.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
− | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
− | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
− | 31 23 1 0 0 0 0 | + | 31 23 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FAAGS0064 | + | ID FL3FAAGS0064 |
− | KNApSAcK_ID C00013614 | + | KNApSAcK_ID C00013614 |
− | NAME Apigenin 7-(2''-E-p-coumaroylglucoside;Echitin (glycoside);(E)-5-Hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one | + | NAME Apigenin 7-(2''-E-p-coumaroylglucoside;Echitin (glycoside);(E)-5-Hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one |
− | CAS_RN 177535-49-8 | + | CAS_RN 177535-49-8 |
− | FORMULA C30H26O12 | + | FORMULA C30H26O12 |
− | EXACTMASS 578.1424262959999 | + | EXACTMASS 578.1424262959999 |
− | AVERAGEMASS 578.5202400000001 | + | AVERAGEMASS 578.5202400000001 |
− | SMILES O(C5CO)C(C(C(C5O)O)OC(=O)C=Cc(c4)ccc(c4)O)Oc(c3)cc(O1)c(c(O)3)C(C=C(c(c2)ccc(O)c2)1)=O | + | SMILES O(C5CO)C(C(C(C5O)O)OC(=O)C=Cc(c4)ccc(c4)O)Oc(c3)cc(O1)c(c(O)3)C(C=C(c(c2)ccc(O)c2)1)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.9176 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9176 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 2.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 -0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 -0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 3.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 2.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3467 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 1.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3423 1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 2.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5533 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7102 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1901 2.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 1.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 1.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 0.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 -1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 -3.4210 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 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 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 24 20 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 31 23 1 0 0 0 0 S SKP 8 ID FL3FAAGS0064 KNApSAcK_ID C00013614 NAME Apigenin 7-(2''-E-p-coumaroylglucoside;Echitin (glycoside);(E)-5-Hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 177535-49-8 FORMULA C30H26O12 EXACTMASS 578.1424262959999 AVERAGEMASS 578.5202400000001 SMILES O(C5CO)C(C(C(C5O)O)OC(=O)C=Cc(c4)ccc(c4)O)Oc(c3)cc(O1)c(c(O)3)C(C=C(c(c2)ccc(O)c2)1)=O M END