Mol:FL4DACGS0008
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 |
| − | -3.4539 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4539 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7397 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7397 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0254 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0254 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0254 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0254 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7397 0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7397 0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4539 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4539 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3111 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3111 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5969 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5969 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5969 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5969 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3111 0.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3111 0.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3111 -2.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3111 -2.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1980 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1980 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9230 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9230 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6480 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6480 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6480 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6480 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9230 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9230 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1980 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1980 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0718 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0718 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0451 -1.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0451 -1.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3729 1.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3729 1.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7397 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7397 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9230 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9230 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1620 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1620 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7495 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7495 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5428 -1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5428 -1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3408 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3408 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9726 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9726 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9600 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9600 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5210 -1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5210 -1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5149 -0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5149 -0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6386 -1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6386 -1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0922 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0922 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0718 -2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0718 -2.3323 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 36 -0.7514 -0.0786 | + | M SBV 1 36 -0.7514 -0.0786 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0008 | + | ID FL4DACGS0008 |
| − | FORMULA C21H22O12 | + | FORMULA C21H22O12 |
| − | EXACTMASS 466.111126168 | + | EXACTMASS 466.111126168 |
| − | AVERAGEMASS 466.39218 | + | AVERAGEMASS 466.39218 |
| − | SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O |
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
-3.4539 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7397 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7397 0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4539 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3111 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5969 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5969 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3111 0.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3111 -2.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1980 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9230 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9230 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1980 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0718 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0451 -1.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3729 1.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7397 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9230 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1620 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7495 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5428 -1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3408 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9726 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9600 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 -1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5149 -0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6386 -1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0922 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0718 -2.3323 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 6 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 19 1 0 0 0 0
32 33 1 0 0 0 0
26 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 CH2OH
M SBV 1 36 -0.7514 -0.0786
S SKP 5
ID FL4DACGS0008
FORMULA C21H22O12
EXACTMASS 466.111126168
AVERAGEMASS 466.39218
SMILES O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M END
