Mol:FL1CBAGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2689 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2689 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2689 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2689 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5337 -0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5337 -0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2015 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2015 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2015 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2015 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5337 0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5337 0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9362 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9362 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4011 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4011 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1311 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1311 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8456 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8456 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5600 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5600 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5600 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5600 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8456 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8456 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1311 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1311 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9362 -1.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9362 -1.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5337 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5337 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0036 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0036 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2742 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2742 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4416 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4416 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9821 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9821 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3204 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3204 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6309 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6309 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1459 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1459 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8218 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8218 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0128 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0128 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5255 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5255 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6441 0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6441 0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9362 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9362 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8844 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8844 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2167 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2167 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2742 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2742 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 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 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 5 29 1 0 0 0 0 | + | 5 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -0.7348 -0.4242 | + | M SBV 1 32 -0.7348 -0.4242 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
| − | M SBV 2 34 0.3950 -0.3950 | + | M SBV 2 34 0.3950 -0.3950 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1CBAGS0002 | + | ID FL1CBAGS0002 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES C(C1O)(C(C(OC1Oc(c3)cc(OC)c(c3O)C(=O)C=Cc(c2)ccc(O)c2)CO)O)O | + | SMILES C(C1O)(C(C(OC1Oc(c3)cc(OC)c(c3O)C(=O)C=Cc(c2)ccc(O)c2)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.2689 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2689 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 -0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4011 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1311 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8456 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5600 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5600 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8456 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1311 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 -1.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2742 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4416 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9821 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3204 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6309 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1459 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8218 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0128 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5255 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6441 0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8844 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2167 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2742 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 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
22 28 1 0 0 0 0
23 18 1 0 0 0 0
29 30 1 0 0 0 0
5 29 1 0 0 0 0
31 32 1 0 0 0 0
25 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -0.7348 -0.4242
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 ^CH2OH
M SBV 2 34 0.3950 -0.3950
S SKP 5
ID FL1CBAGS0002
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES C(C1O)(C(C(OC1Oc(c3)cc(OC)c(c3O)C(=O)C=Cc(c2)ccc(O)c2)CO)O)O
M END
