Mol:FL5FECGS0053
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.9208 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9208 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2063 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2063 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2063 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2063 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9208 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9208 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6353 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6353 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6353 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6353 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4919 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4919 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7774 0.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7774 0.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0629 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0629 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0629 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0629 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7774 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7774 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4919 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4919 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3485 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3485 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3660 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3660 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3660 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3660 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3485 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3485 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7774 -2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7774 -2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 0.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 0.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2063 -1.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2063 -1.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3485 -2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3485 -2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3498 1.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3498 1.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9208 2.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9208 2.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0271 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0271 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7156 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7156 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3029 -0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3029 -0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5046 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5046 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7111 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7111 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1237 0.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1237 0.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9221 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9221 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0791 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0791 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1988 -0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1988 -0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7516 -0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7516 -0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6761 -0.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6761 -0.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6679 0.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6679 0.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0970 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0970 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7025 2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7025 2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9207 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9207 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3152 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3152 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3498 2.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3498 2.2938 0.0000 C 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 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 34 30 1 0 0 0 0 | + | 34 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0053 | + | ID FL5FECGS0053 |
| − | KNApSAcK_ID C00013942 | + | KNApSAcK_ID C00013942 |
| − | NAME Quercetagetin 7-(6''-isobutyrylglucoside);6-Hydroxyquercetin 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one | + | NAME Quercetagetin 7-(6''-isobutyrylglucoside);6-Hydroxyquercetin 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 239133-33-6 | + | CAS_RN 239133-33-6 |
| − | FORMULA C25H26O14 | + | FORMULA C25H26O14 |
| − | EXACTMASS 550.13225554 | + | EXACTMASS 550.13225554 |
| − | AVERAGEMASS 550.4655399999999 | + | AVERAGEMASS 550.4655399999999 |
| − | SMILES OC(C(O)4)C(C(OC(COC(=O)C(C)C)4)Oc(c(O)3)cc(O1)c(c(O)3)C(C(=C1c(c2)cc(c(O)c2)O)O)=O)O | + | SMILES OC(C(O)4)C(C(OC(COC(=O)C(C)C)4)Oc(c(O)3)cc(O1)c(c(O)3)C(C(=C1c(c2)cc(c(O)c2)O)O)=O)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/
39 42 0 0 0 0 0 0 0 0999 V2000
3.9208 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2063 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2063 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9208 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6353 0.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6353 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4919 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7774 0.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0629 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0629 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7774 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4919 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3485 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3660 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3660 -1.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3485 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7774 -2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 0.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2063 -1.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3485 -2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3498 1.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9208 2.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0271 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7156 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3029 -0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5046 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1237 0.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0791 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1988 -0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7516 -0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6761 -0.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6679 0.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0970 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7025 2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9207 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3152 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3498 2.2938 0.0000 C 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
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
15 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
18 27 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
34 30 1 0 0 0 0
S SKP 8
ID FL5FECGS0053
KNApSAcK_ID C00013942
NAME Quercetagetin 7-(6''-isobutyrylglucoside);6-Hydroxyquercetin 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 239133-33-6
FORMULA C25H26O14
EXACTMASS 550.13225554
AVERAGEMASS 550.4655399999999
SMILES OC(C(O)4)C(C(OC(COC(=O)C(C)C)4)Oc(c(O)3)cc(O1)c(c(O)3)C(C(=C1c(c2)cc(c(O)c2)O)O)=O)O
M END
