Mol:FL5FCGGS0003
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 |
| − | 1.4916 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4916 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7771 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7771 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7771 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7771 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4916 3.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4916 3.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2061 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2061 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2061 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2061 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0627 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0627 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6518 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6518 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3663 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3663 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3663 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3663 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6518 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6518 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0627 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0627 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0808 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0808 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7952 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7952 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7952 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7952 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0808 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0808 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6518 -0.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6518 -0.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5097 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5097 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7771 0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7771 0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0808 -0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0808 -0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9205 3.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9205 3.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4916 4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4916 4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8840 1.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8840 1.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2183 1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2183 1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7012 -0.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7012 -0.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1139 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1139 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3203 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3203 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4780 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4780 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8907 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8907 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0971 -0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0971 -0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4927 -1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4927 -1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8350 -1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8350 -1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5909 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5909 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3133 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3133 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1502 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1502 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7445 -2.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7445 -2.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1638 -3.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1638 -3.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9887 -3.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9887 -3.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3944 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3944 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9752 -2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9752 -2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3803 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3803 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2183 -2.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2183 -2.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4074 -4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4074 -4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9207 -2.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9207 -2.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5155 -3.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5155 -3.4857 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 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 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 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 25 34 1 0 0 0 0 | + | 25 34 1 0 0 0 0 |
| − | 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 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 38 43 1 0 0 0 0 | + | 38 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 31 44 1 0 0 0 0 | + | 31 44 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCGGS0003 | + | ID FL5FCGGS0003 |
| − | FORMULA C29H26O16 | + | FORMULA C29H26O16 |
| − | EXACTMASS 630.122084784 | + | EXACTMASS 630.122084784 |
| − | AVERAGEMASS 630.5071399999999 | + | AVERAGEMASS 630.5071399999999 |
| − | SMILES Oc(c51)cc(OC)cc(OC(=C(C5=O)OC(C3OC(c(c4)cc(O)c(O)c(O)4)=O)OC(C(C3O)O)C)c(c2)cc(c(O)c2O)O)1 | + | SMILES Oc(c51)cc(OC)cc(OC(=C(C5=O)OC(C3OC(c(c4)cc(O)c(O)c(O)4)=O)OC(C(C3O)O)C)c(c2)cc(c(O)c2O)O)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
1.4916 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4916 3.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2061 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2061 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3663 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3663 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7952 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7952 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 -0.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5097 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 -0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9205 3.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4916 4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 1.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2183 1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7012 -0.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1139 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3203 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8907 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 -0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4927 -1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 -1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5909 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3133 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1502 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7445 -2.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 -3.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9887 -3.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3944 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 -2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3803 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2183 -2.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 -4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9207 -2.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5155 -3.4857 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
6 23 1 0 0 0 0
18 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
26 33 1 0 0 0 0
25 34 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
39 42 1 0 0 0 0
38 43 1 0 0 0 0
36 44 1 0 0 0 0
44 45 2 0 0 0 0
29 19 1 0 0 0 0
31 44 1 0 0 0 0
S SKP 5
ID FL5FCGGS0003
FORMULA C29H26O16
EXACTMASS 630.122084784
AVERAGEMASS 630.5071399999999
SMILES Oc(c51)cc(OC)cc(OC(=C(C5=O)OC(C3OC(c(c4)cc(O)c(O)c(O)4)=O)OC(C(C3O)O)C)c(c2)cc(c(O)c2O)O)1
M END
