Mol:FL3FAACS0015
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 |
| − | -1.6014 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6014 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6014 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6014 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8870 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8870 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1725 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1725 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1725 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1725 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8870 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8870 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5419 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5419 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2564 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2564 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2564 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2564 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5419 -0.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5419 -0.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5419 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5419 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3156 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3156 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6131 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6131 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3908 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3908 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0609 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0609 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0520 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0520 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4570 0.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4570 0.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8487 1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8487 1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0735 2.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0735 2.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3908 2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3908 2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5393 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5393 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8870 -2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8870 -2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0501 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0501 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8030 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8030 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5558 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5558 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5558 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5558 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8030 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8030 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0501 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0501 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0418 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0418 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5652 -2.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5652 -2.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8787 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8787 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2163 -1.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2163 -1.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6977 -1.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6977 -1.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2982 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2982 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0418 -0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0418 -0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3083 -2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3083 -2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3826 -2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3826 -2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3083 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3083 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7307 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7307 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4807 -0.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4807 -0.3768 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 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 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 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 2 1 0 0 0 0 | + | 32 2 1 0 0 0 0 |
| − | 26 38 1 0 0 0 0 | + | 26 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 43 0.4325 -0.4744 | + | M SBV 1 43 0.4325 -0.4744 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0015 | + | ID FL3FAACS0015 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O | + | SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)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/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.6014 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6014 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8870 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8870 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5419 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2564 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2564 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5419 -0.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5419 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3156 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3908 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0609 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0520 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4570 0.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8487 1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0735 2.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3908 2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5393 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8870 -2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0501 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8030 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5558 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5558 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8030 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0501 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0418 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5652 -2.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8787 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2163 -1.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 -1.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2982 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0418 -0.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3083 -2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3826 -2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7307 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4807 -0.3768 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
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 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 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 2 1 0 0 0 0
26 38 1 0 0 0 0
34 39 1 0 0 0 0
39 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 43
M SMT 1 CH2OH
M SBV 1 43 0.4325 -0.4744
S SKP 5
ID FL3FAACS0015
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O
M END
