Mol:FL4DACGS0018
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 |
| − | -1.4357 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4357 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7213 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7213 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0068 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0068 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0068 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0068 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7213 0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7213 0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4357 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4357 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7077 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7077 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4222 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4222 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4222 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4222 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7077 0.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7077 0.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7077 -2.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7077 -2.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2173 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2173 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9425 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9425 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6677 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6677 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6677 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6677 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9425 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9425 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2173 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2173 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0539 0.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0539 0.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1909 -1.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1909 -1.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3929 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3929 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9425 2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9425 2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7213 -2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7213 -2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3875 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3875 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1234 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1234 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5945 0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5945 0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4137 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4137 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6778 -0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6778 -0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2067 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2067 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6963 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6963 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2463 1.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2463 1.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3929 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3929 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9514 -0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9514 -0.6880 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 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0018 | + | ID FL4DACGS0018 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(C(=O)2)O)C(O)C(O)C(O)C(C)1 | + | SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(C(=O)2)O)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
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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
-1.4357 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7213 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0068 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0068 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7213 0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4357 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7077 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4222 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4222 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7077 0.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7077 -2.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2173 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9425 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6677 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6677 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9425 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2173 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0539 0.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1909 -1.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3929 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9425 2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7213 -2.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3875 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1234 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5945 0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4137 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 -0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2067 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6963 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2463 1.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3929 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9514 -0.6880 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 1 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
2 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
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 5
ID FL4DACGS0018
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)C(C(=O)2)O)C(O)C(O)C(O)C(C)1
M END
