Mol:FL3FAACS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5249 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5249 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5249 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5249 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8104 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8104 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0959 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0959 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0959 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0959 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8104 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8104 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6185 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6185 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3330 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3330 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3330 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3330 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6185 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6185 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6199 -2.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6199 -2.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2392 -0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2392 -0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5722 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5722 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2715 1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2715 1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4099 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4099 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8116 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8116 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0012 0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0012 0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0330 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0330 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0680 2.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0680 2.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2331 0.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2331 0.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8104 -2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8104 -2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1267 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1267 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8796 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8796 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6325 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6325 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6325 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6325 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8796 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8796 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1267 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1267 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3850 0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3850 0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1494 1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1494 1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6148 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6148 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8220 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8220 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2349 1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2349 1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3103 1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3103 1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6148 0.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6148 0.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7975 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7975 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6785 2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6785 2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1645 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1645 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3850 1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3850 1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7886 1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7886 1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3184 0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3184 0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 32 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
| − | 13 36 1 0 0 0 0 | + | 13 36 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 18 39 1 0 0 0 0 | + | 18 39 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 37 38 | + | M SAL 1 2 37 38 |
| − | M SBL 1 1 42 | + | M SBL 1 1 42 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 42 0.0151 -0.8526 | + | M SBV 1 42 0.0151 -0.8526 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 39 40 | + | M SAL 2 2 39 40 |
| − | M SBL 2 1 44 | + | M SBL 2 1 44 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 44 -0.7556 -0.2715 | + | M SBV 2 44 -0.7556 -0.2715 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0017 | + | ID FL3FAACS0017 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(O)C(C(O)1)OC(OC(C(O)5)C(OC(C5O)CO)c(c23)c(cc(c(C(C=C(c(c4)ccc(O)c4)O3)=O)2)O)O)C(O)1 | + | SMILES C(O)C(C(O)1)OC(OC(C(O)5)C(OC(C5O)CO)c(c23)c(cc(c(C(C=C(c(c4)ccc(O)c4)O3)=O)2)O)O)C(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/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.5249 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5249 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0959 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0959 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6185 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6185 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6199 -2.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2392 -0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5722 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4099 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8116 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0012 0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0680 2.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2331 0.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 -2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1267 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8796 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6325 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6325 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8796 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1267 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3850 0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1494 1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6148 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8220 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2349 1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3103 1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6148 0.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6785 2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1645 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3850 1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7886 1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3184 0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
6 16 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
22 9 1 0 0 0 0
25 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 29 1 0 0 0 0
30 34 1 0 0 0 0
31 35 1 0 0 0 0
32 20 1 0 0 0 0
13 36 1 0 0 0 0
37 38 1 0 0 0 0
29 37 1 0 0 0 0
39 40 1 0 0 0 0
18 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 42
M SMT 1 ^ CH2OH
M SBV 1 42 0.0151 -0.8526
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 39 40
M SBL 2 1 44
M SMT 2 CH2OH
M SBV 2 44 -0.7556 -0.2715
S SKP 5
ID FL3FAACS0017
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(O)C(C(O)1)OC(OC(C(O)5)C(OC(C5O)CO)c(c23)c(cc(c(C(C=C(c(c4)ccc(O)c4)O3)=O)2)O)O)C(O)1
M END
