Mol:FL5FECGS0057
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 43 0 0 0 0 0 0 0 0999 V2000 | + | 40 43 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.9381 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9381 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2236 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2236 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2236 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2236 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9381 1.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9381 1.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6526 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6526 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6526 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6526 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5092 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5092 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7947 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7947 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0802 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0802 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0802 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0802 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7947 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7947 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5091 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5091 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3657 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3657 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3487 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3487 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3487 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3487 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3657 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3657 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7947 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7947 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0632 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0632 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2236 -1.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2236 -1.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3657 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3657 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3670 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3670 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9381 2.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9381 2.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0098 -1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0098 -1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0098 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0098 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8303 0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8303 0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4177 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4177 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6193 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6193 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8258 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8258 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2384 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2384 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0368 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0368 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1938 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1938 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3135 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3135 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8663 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8663 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7908 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7908 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7193 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7193 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1299 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1299 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7166 2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7166 2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9538 1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9538 1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3670 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3670 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3644 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3644 2.3391 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 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 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 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 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0057 | + | ID FL5FECGS0057 |
| − | KNApSAcK_ID C00013946 | + | KNApSAcK_ID C00013946 |
| − | NAME Patuletin 7-(6''-isobutyrylglucoside);Quercetagetin 6-methyl ether 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one | + | NAME Patuletin 7-(6''-isobutyrylglucoside);Quercetagetin 6-methyl ether 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 239133-35-8 | + | CAS_RN 239133-35-8 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c4O)(O)ccc(c4)C(=C(O)3)Oc(c1)c(C3=O)c(O)c(OC)c1OC(O2)C(C(O)C(O)C(COC(C(C)C)=O)2)O | + | SMILES c(c4O)(O)ccc(c4)C(=C(O)3)Oc(c1)c(C3=O)c(O)c(OC)c1OC(O2)C(C(O)C(O)C(COC(C(C)C)=O)2)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/
40 43 0 0 0 0 0 0 0 0999 V2000
3.9381 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2236 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2236 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9381 1.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6526 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6526 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5092 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7947 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0802 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0802 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7947 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5091 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3657 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3487 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3487 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3657 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7947 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0632 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2236 -1.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3657 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3670 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9381 2.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0098 -1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0098 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8303 0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4177 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6193 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8258 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2384 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0368 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1938 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3135 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8663 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7908 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7193 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1299 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7166 2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9538 1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3670 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3644 2.3391 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
23 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
28 18 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
35 31 1 0 0 0 0
S SKP 8
ID FL5FECGS0057
KNApSAcK_ID C00013946
NAME Patuletin 7-(6''-isobutyrylglucoside);Quercetagetin 6-methyl ether 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 239133-35-8
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c4O)(O)ccc(c4)C(=C(O)3)Oc(c1)c(C3=O)c(O)c(OC)c1OC(O2)C(C(O)C(O)C(COC(C(C)C)=O)2)O
M END
