Mol:FL5FCGCS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9220 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9220 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9220 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9220 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2075 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2075 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4930 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4930 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4930 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4930 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2075 0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2075 0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2215 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2215 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9360 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9360 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9360 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9360 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2215 0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2215 0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2075 -2.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2075 -2.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6561 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6561 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3353 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3353 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0143 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0143 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0143 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0143 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3353 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3353 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6561 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6561 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6934 1.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6934 1.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2215 -2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2215 -2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0181 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0181 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6898 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6898 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8821 1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8821 1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1744 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1744 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5497 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5497 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2801 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2801 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6934 1.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6934 1.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4886 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4886 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5292 2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5292 2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5219 2.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5219 2.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3353 2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3353 2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6934 -0.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6934 -0.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6503 -1.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6503 -1.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2283 1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2283 1.3595 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 |
| − | 3 11 1 0 0 0 0 | + | 3 11 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 37 0.6387 -0.3279 | + | M SBV 1 37 0.6387 -0.3279 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCGCS0001 | + | ID FL5FCGCS0001 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c3C(C4O)OC(C)C(C4O)O)(cc(O)c(c31)C(C(O)=C(c(c2)cc(O)c(O)c(O)2)O1)=O)OC | + | SMILES c(c3C(C4O)OC(C)C(C4O)O)(cc(O)c(c31)C(C(O)=C(c(c2)cc(O)c(O)c(O)2)O1)=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.9220 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4930 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4930 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2215 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9360 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9360 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2215 0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 -2.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6561 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3353 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0143 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0143 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3353 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6561 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6934 1.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2215 -2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0181 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8821 1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1744 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5497 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2801 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6934 1.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4886 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5292 2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5219 2.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3353 2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6934 -0.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6503 -1.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2283 1.3595 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
3 11 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
9 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
6 23 1 0 0 0 0
16 30 1 0 0 0 0
14 31 1 0 0 0 0
8 32 1 0 0 0 0
33 34 1 0 0 0 0
1 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 ^ OCH3
M SBV 1 37 0.6387 -0.3279
S SKP 5
ID FL5FCGCS0001
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c3C(C4O)OC(C)C(C4O)O)(cc(O)c(c31)C(C(O)=C(c(c2)cc(O)c(O)c(O)2)O1)=O)OC
M END
