Mol:FL3FAIGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0989 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0989 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0989 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0989 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3978 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3978 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3032 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3032 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3032 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3032 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3978 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3978 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0043 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0043 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7054 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7054 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7054 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7054 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0043 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0043 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2712 -2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2712 -2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4062 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4062 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1207 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1207 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8352 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8352 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8352 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8352 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1207 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1207 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4062 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4062 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3978 -3.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3978 -3.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8026 -0.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8026 -0.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1811 0.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1811 0.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8389 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8389 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0375 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0375 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8835 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8835 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7699 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7699 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5790 -0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5790 -0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7579 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7579 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.5272 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.5272 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0173 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0173 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9733 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9733 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1811 -1.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1811 -1.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5272 -2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5272 -2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3821 1.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3821 1.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8142 3.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8142 3.0303 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -1.3460 0.7771 | + | M SBV 1 34 -1.3460 0.7771 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.2614 -0.9033 | + | M SBV 2 36 -0.2614 -0.9033 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAIGS0001 | + | ID FL3FAIGS0001 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O | + | SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0989 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0989 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3032 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3032 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2712 -2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -3.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8026 -0.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 0.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8389 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0375 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8835 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5790 -0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7579 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5272 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0173 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9733 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 -1.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5272 -2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3821 1.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8142 3.0303 0.0000 C 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
14 30 1 0 0 0 0
32 33 1 0 0 0 0
16 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -1.3460 0.7771
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.2614 -0.9033
S SKP 5
ID FL3FAIGS0001
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O
M END
