Mol:FL3FBFGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7158 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7158 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7158 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7158 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4302 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4302 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1447 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1447 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1447 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1447 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4302 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4302 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0013 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0013 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2868 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2868 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5724 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5724 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5724 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5724 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2868 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2868 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0013 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0013 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8579 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8579 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1433 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1433 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1433 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1433 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8579 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8579 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2868 -2.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2868 -2.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5078 0.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5078 0.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8579 -2.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8579 -2.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8503 1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8503 1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1807 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1807 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7682 0.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7682 0.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9701 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9701 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1769 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1769 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5894 0.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5894 0.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3875 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3875 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7287 1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7287 1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4132 1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4132 1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6198 0.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6198 0.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2979 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2979 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6040 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6040 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1946 -2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1946 -2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4931 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4931 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9737 1.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9737 1.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5611 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5611 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7628 1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7628 1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9693 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9693 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3818 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3818 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1802 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1802 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3095 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3095 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1276 1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1276 1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4931 1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4931 1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4302 2.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4302 2.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0516 2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0516 2.5177 0.0000 C 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 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 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 19 32 1 0 0 0 0 | + | 19 32 1 0 0 0 0 |
| − | 20 33 1 0 0 0 0 | + | 20 33 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 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 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 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 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 37 28 1 0 0 0 0 | + | 37 28 1 0 0 0 0 |
| − | 6 43 1 0 0 0 0 | + | 6 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FBFGS0001 | + | ID FL3FBFGS0001 |
| − | FORMULA C29H34O15 | + | FORMULA C29H34O15 |
| − | EXACTMASS 622.189770418 | + | EXACTMASS 622.189770418 |
| − | AVERAGEMASS 622.5712599999999 | + | AVERAGEMASS 622.5712599999999 |
| − | SMILES c(OC)(c1OC)ccc(C(=C5)Oc(c2)c(C5=O)c(cc(OC(O3)C(C(C(C3COC(O4)C(O)C(O)C(C4)O)O)O)O)2)OC)c1 | + | SMILES c(OC)(c1OC)ccc(C(=C5)Oc(c2)c(C5=O)c(cc(OC(O3)C(C(C(C3COC(O4)C(O)C(O)C(C4)O)O)O)O)2)OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
3.7158 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7158 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1447 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1447 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0013 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2868 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5724 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5724 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2868 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0013 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8579 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8579 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2868 -2.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5078 0.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8579 -2.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8503 1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1807 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 0.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9701 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1769 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5894 0.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3875 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7287 1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4132 1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6198 0.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2979 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6040 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1946 -2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4931 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9737 1.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5611 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7628 1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9693 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3818 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1802 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3095 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1276 1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4931 1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 2.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0516 2.5177 0.0000 C 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 18 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
34 42 1 0 0 0 0
37 28 1 0 0 0 0
6 43 1 0 0 0 0
43 44 1 0 0 0 0
S SKP 5
ID FL3FBFGS0001
FORMULA C29H34O15
EXACTMASS 622.189770418
AVERAGEMASS 622.5712599999999
SMILES c(OC)(c1OC)ccc(C(=C5)Oc(c2)c(C5=O)c(cc(OC(O3)C(C(C(C3COC(O4)C(O)C(O)C(C4)O)O)O)O)2)OC)c1
M END
