Mol:FL5FACGS0115
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 64 70 0 0 0 0 0 0 0 0999 V2000 | + | 64 70 0 0 0 0 0 0 0 0999 V2000 |
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| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 19 1 0 0 0 0 | + | 37 19 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 46 49 1 0 0 0 0 | + | 46 49 1 0 0 0 0 |
| − | 45 50 1 0 0 0 0 | + | 45 50 1 0 0 0 0 |
| − | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 53 55 1 0 0 0 0 | + | 53 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 59 64 1 0 0 0 0 | + | 59 64 1 0 0 0 0 |
| − | 52 44 1 0 0 0 0 | + | 52 44 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0115 | + | ID FL5FACGS0115 |
| − | FORMULA C41H44O23 | + | FORMULA C41H44O23 |
| − | EXACTMASS 904.227337714 | + | EXACTMASS 904.227337714 |
| − | AVERAGEMASS 904.7742599999999 | + | AVERAGEMASS 904.7742599999999 |
| − | SMILES C(C1OC(C7O)C(OCC7O)OC(C3=O)=C(c(c6)cc(O)c(O)c6)Oc(c4)c(c(O)cc4OC(C(O)5)OC(CO)C(O)C5O)3)(C(C(OC(C=Cc(c2)ccc(O)c(O)2)=O)C(O1)C)O)O | + | SMILES C(C1OC(C7O)C(OCC7O)OC(C3=O)=C(c(c6)cc(O)c(O)c6)Oc(c4)c(c(O)cc4OC(C(O)5)OC(CO)C(O)C5O)3)(C(C(OC(C=Cc(c2)ccc(O)c(O)2)=O)C(O1)C)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/
64 70 0 0 0 0 0 0 0 0999 V2000
3.8943 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1799 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1799 3.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8943 3.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6088 3.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6088 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4654 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4654 0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3221 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3221 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 -0.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1069 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0644 0.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3221 -0.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.2226 -3.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4336 -2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
59 64 1 0 0 0 0
52 44 1 0 0 0 0
S SKP 5
ID FL5FACGS0115
FORMULA C41H44O23
EXACTMASS 904.227337714
AVERAGEMASS 904.7742599999999
SMILES C(C1OC(C7O)C(OCC7O)OC(C3=O)=C(c(c6)cc(O)c(O)c6)Oc(c4)c(c(O)cc4OC(C(O)5)OC(CO)C(O)C5O)3)(C(C(OC(C=Cc(c2)ccc(O)c(O)2)=O)C(O1)C)O)O
M END
