Mol:FL4DA9GS0003
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5038 0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5038 0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7837 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7837 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5126 -0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5126 -0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7998 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7998 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0843 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0843 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0730 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0730 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3712 -0.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3712 -0.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3469 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3469 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3537 0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3537 0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3529 1.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3529 1.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0920 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0920 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1009 1.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 1.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8200 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8200 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5283 1.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5283 1.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5219 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5219 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8020 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3861 -1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3861 -1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2121 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2121 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2842 -0.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2842 -0.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2121 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2121 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7998 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7998 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8200 3.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8200 3.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1782 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1782 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5908 -2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5908 -2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0010 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0010 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4137 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4137 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6202 -1.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6202 -1.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0390 -3.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0390 -3.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1896 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1896 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1283 -2.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1283 -2.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9680 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9680 -1.9064 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 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 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DA9GS0003 | + | ID FL4DA9GS0003 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(O)cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(O)cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.5038 0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7837 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5126 -0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0843 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0730 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3712 -0.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3469 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3537 0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 1.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0920 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 1.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8200 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5283 1.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3861 -1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2121 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2842 -0.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2121 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8200 3.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1782 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5908 -2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4137 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6202 -1.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 -3.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1896 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1283 -2.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9680 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
8 19 1 6 0 0 0
15 20 1 0 0 0 0
4 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 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
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 19 1 0 0 0 0
S SKP 5
ID FL4DA9GS0003
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(O)cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1
M END
