Mol:FL5FECGS0060
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3123 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3123 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5979 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5979 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5978 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5978 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3123 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3123 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0268 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0268 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0268 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0268 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8834 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8834 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1689 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1689 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4544 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4544 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4544 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4544 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1689 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1689 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8834 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8834 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2600 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2600 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9745 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9745 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9745 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9745 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2600 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2600 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1689 -2.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1689 -2.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6890 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6890 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5978 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5978 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2600 -2.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2600 -2.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7413 1.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7413 1.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3123 2.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3123 2.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6356 -1.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6356 -1.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3523 -0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3523 -0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2581 -1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2581 -1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8454 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8454 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0471 -1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0471 -1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2536 -2.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2536 -2.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6662 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6662 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4646 -1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4646 -1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6215 -0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6215 -0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1014 -0.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1014 -0.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7413 -1.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7413 -1.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2941 -1.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2941 -1.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2186 -2.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2186 -2.4222 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 |
| − | 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 |
| − | 18 24 1 0 0 0 0 | + | 18 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 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0060 | + | ID FL5FECGS0060 |
| − | KNApSAcK_ID C00013949 | + | KNApSAcK_ID C00013949 |
| − | NAME Quercetagetin 7-methyl ether 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one | + | NAME Quercetagetin 7-methyl ether 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 224623-24-9 | + | CAS_RN 224623-24-9 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES O(c21)C(c(c4)ccc(c4O)O)=C(C(c(c(O)c(OC(O3)C(O)C(C(C(CO)3)O)O)c(c2)OC)1)=O)O | + | SMILES O(c21)C(c(c4)ccc(c4O)O)=C(C(c(c(O)c(OC(O3)C(O)C(C(C(CO)3)O)O)c(c2)OC)1)=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/
35 38 0 0 0 0 0 0 0 0999 V2000
3.3123 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5979 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5978 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3123 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0268 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0268 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8834 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4544 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4544 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8834 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2600 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9745 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9745 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2600 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 -2.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6890 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5978 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2600 -2.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7413 1.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3123 2.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6356 -1.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3523 -0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2581 -1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8454 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0471 -1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 -2.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6662 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4646 -1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6215 -0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1014 -0.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7413 -1.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2941 -1.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2186 -2.4222 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
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
18 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
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 23 1 0 0 0 0
S SKP 8
ID FL5FECGS0060
KNApSAcK_ID C00013949
NAME Quercetagetin 7-methyl ether 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 224623-24-9
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES O(c21)C(c(c4)ccc(c4O)O)=C(C(c(c(O)c(OC(O3)C(O)C(C(C(CO)3)O)O)c(c2)OC)1)=O)O
M END
