Mol:FL5FACGS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.9916 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9916 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9916 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9916 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2905 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2905 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5895 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5895 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5895 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5895 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2905 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2905 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8884 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8884 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1874 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1874 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1874 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1874 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8884 0.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8884 0.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8884 -2.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8884 -2.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4866 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4866 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2280 -0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2280 -0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9424 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9424 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9424 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9424 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2280 1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2280 1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4866 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4866 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6924 0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6924 0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4346 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4346 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8024 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8024 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3140 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3140 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2535 -1.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2535 -1.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1985 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1985 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6872 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6872 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7476 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7476 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0057 -1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0057 -1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0865 -0.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0865 -0.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4052 -1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4052 -1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6568 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6568 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2905 -2.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2905 -2.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2280 2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2280 2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5460 -2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5460 -2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3092 -2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3092 -2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6924 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6924 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0717 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0717 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8068 -0.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8068 -0.9025 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 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 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 23 35 1 0 0 0 0 | + | 23 35 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 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 35 36 | + | M SAL 1 2 35 36 |
| − | M SBL 1 2 38 39 | + | M SBL 1 2 38 39 |
| − | M SMT 1 CO | + | M SMT 1 CO |
| − | M SBV 1 38 -0.8732 -0.1171 | + | M SBV 1 38 -0.8732 -0.1171 |
| − | M SBV 1 39 0.4744 -0.6806 | + | M SBV 1 39 0.4744 -0.6806 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0010 | + | ID FL5FACGS0010 |
| − | FORMULA C23H22O13 | + | FORMULA C23H22O13 |
| − | EXACTMASS 506.10604078999995 | + | EXACTMASS 506.10604078999995 |
| − | AVERAGEMASS 506.41298000000006 | + | AVERAGEMASS 506.41298000000006 |
| − | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C(O)2)OC(C(O)C(O)2)C(=O)OCC)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C(O)2)OC(C(O)C(O)2)C(=O)OCC)1)cc(c(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.9916 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9916 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2905 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5895 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5895 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2905 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1874 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1874 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 0.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 -2.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2280 -0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9424 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9424 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2280 1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6924 0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4346 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8024 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3140 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2535 -1.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1985 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6872 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7476 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 -0.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 -1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6568 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2905 -2.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2280 2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5460 -2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 -2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6924 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0717 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8068 -0.9025 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
35 36 2 0 0 0 0
23 35 1 0 0 0 0
32 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 2 38 39
M SMT 1 CO
M SBV 1 38 -0.8732 -0.1171
M SBV 1 39 0.4744 -0.6806
S SKP 5
ID FL5FACGS0010
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C(O)2)OC(C(O)C(O)2)C(=O)OCC)1)cc(c(c1)O)O
M END
