Mol:FL5FEAGS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
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| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
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| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
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| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 2 45 1 0 0 0 0 | + | 2 45 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGS0017 | + | ID FL5FEAGS0017 |
| − | KNApSAcK_ID C00005934 | + | KNApSAcK_ID C00005934 |
| − | NAME 6-Hydroxykaempferol 7-(6''-(E)-caffeylglucoside) | + | NAME 6-Hydroxykaempferol 7-(6''-(E)-caffeylglucoside) |
| − | CAS_RN 150900-97-3 | + | CAS_RN 150900-97-3 |
| − | FORMULA C30H26O15 | + | FORMULA C30H26O15 |
| − | EXACTMASS 626.127170162 | + | EXACTMASS 626.127170162 |
| − | AVERAGEMASS 626.51844 | + | AVERAGEMASS 626.51844 |
| − | SMILES c(c5)c(ccc5O)C(O1)=C(O)C(=O)c(c(O)2)c(cc(OC(C3O)OC(COC(=O)C=Cc(c4)ccc(O)c4O)C(O)C3O)c(O)2)1 | + | SMILES c(c5)c(ccc5O)C(O1)=C(O)C(=O)c(c(O)2)c(cc(OC(C3O)OC(COC(=O)C=Cc(c4)ccc(O)c4O)C(O)C3O)c(O)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.8426 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8426 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2700 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2700 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5057 -0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0727 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0727 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5057 0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 -2.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8664 0.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3375 -0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9964 -1.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5 6 1 0 0 0 0
6 1 2 0 0 0 0
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10 5 1 0 0 0 0
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22 23 1 1 0 0 0
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25 24 1 1 0 0 0
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27 22 1 0 0 0 0
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23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
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35 36 2 0 0 0 0
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37 38 2 0 0 0 0
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40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
41 43 1 0 0 0 0
40 44 1 0 0 0 0
2 45 1 0 0 0 0
S SKP 8
ID FL5FEAGS0017
KNApSAcK_ID C00005934
NAME 6-Hydroxykaempferol 7-(6''-(E)-caffeylglucoside)
CAS_RN 150900-97-3
FORMULA C30H26O15
EXACTMASS 626.127170162
AVERAGEMASS 626.51844
SMILES c(c5)c(ccc5O)C(O1)=C(O)C(=O)c(c(O)2)c(cc(OC(C3O)OC(COC(=O)C=Cc(c4)ccc(O)c4O)C(O)C3O)c(O)2)1
M END
