Mol:FL3FECGS0001
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 |
| − | -1.3373 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3373 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3373 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3373 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6228 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0915 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0915 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0915 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0915 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6228 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8060 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8060 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5203 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5203 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5203 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5203 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8060 -0.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8060 -0.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2343 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2343 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9913 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9913 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7484 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7484 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7484 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7484 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9913 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9913 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2343 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2343 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6229 -2.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6229 -2.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1837 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1837 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8060 -2.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8060 -2.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5049 1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5049 1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9457 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9457 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8131 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8131 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5377 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5377 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8130 0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8130 0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0359 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0359 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2208 0.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2208 0.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2225 1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2225 1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5049 0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5049 0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5288 2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5288 2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9349 2.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9349 2.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5049 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5049 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0103 -1.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0103 -1.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8290 -2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8290 -2.8670 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 36 0.6730 0.4282 | + | M SBV 1 36 0.6730 0.4282 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0001 | + | ID FL3FECGS0001 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O | + | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)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
-1.3373 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3373 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0915 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0915 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8060 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5203 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5203 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8060 -0.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2343 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9913 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7484 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7484 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9913 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2343 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6229 -2.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1837 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8060 -2.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5049 1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9457 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8131 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5377 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8130 0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0359 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2208 0.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2225 1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5049 0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5288 2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9349 2.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5049 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0103 -1.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8290 -2.8670 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
14 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
25 18 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
22 29 1 0 0 0 0
21 30 1 0 0 0 0
13 31 1 0 0 0 0
32 33 1 0 0 0 0
2 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 ^ OCH3
M SBV 1 36 0.6730 0.4282
S SKP 5
ID FL3FECGS0001
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O
M END
