Mol:FL3FECGS0020
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 |
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| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 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 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 |
| − | 33 38 2 0 0 0 0 | + | 33 38 2 0 0 0 0 |
| − | 23 39 1 0 0 0 0 | + | 23 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0020 | + | ID FL3FECGS0020 |
| − | KNApSAcK_ID C00004395 | + | KNApSAcK_ID C00004395 |
| − | NAME 6-Hydroxyluteolin 7-(6''-malonylglucoside) | + | NAME 6-Hydroxyluteolin 7-(6''-malonylglucoside) |
| − | CAS_RN 98767-37-4 | + | CAS_RN 98767-37-4 |
| − | FORMULA C24H22O15 | + | FORMULA C24H22O15 |
| − | EXACTMASS 550.095870034 | + | EXACTMASS 550.095870034 |
| − | AVERAGEMASS 550.42248 | + | AVERAGEMASS 550.42248 |
| − | SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(O2)c(c4O)C(=O)C=C2c(c3)cc(c(c3)O)O)C(C(O)1)O | + | SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(O2)c(c4O)C(=O)C=C2c(c3)cc(c(c3)O)O)C(C(O)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/
39 42 0 0 0 0 0 0 0 0999 V2000
0.4222 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4222 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3243 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3243 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7754 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2264 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2264 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7754 -0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7754 -1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6773 -0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 -0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5968 -0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5968 0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6773 0.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1870 0.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -1.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0279 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6674 -0.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10 5 1 0 0 0 0
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19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
24 29 1 0 0 0 0
25 30 1 0 0 0 0
26 21 1 0 0 0 0
28 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 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
33 38 2 0 0 0 0
23 39 1 0 0 0 0
S SKP 8
ID FL3FECGS0020
KNApSAcK_ID C00004395
NAME 6-Hydroxyluteolin 7-(6''-malonylglucoside)
CAS_RN 98767-37-4
FORMULA C24H22O15
EXACTMASS 550.095870034
AVERAGEMASS 550.42248
SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(O2)c(c4O)C(=O)C=C2c(c3)cc(c(c3)O)O)C(C(O)1)O
M END
