Mol:FL3FAHGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.4709 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4709 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4709 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4709 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1853 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1853 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8998 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8998 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8998 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8998 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1853 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1853 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7564 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7564 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0419 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0419 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3274 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3274 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3274 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3274 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0419 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0419 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7564 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7564 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3869 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3869 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1015 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1015 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1015 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1015 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3869 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3869 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0419 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0419 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8159 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8159 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3869 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3869 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4317 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4317 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1853 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1853 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5128 -0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5128 -0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2038 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2038 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6161 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6161 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2036 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2036 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4055 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4055 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6123 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6123 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0247 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0247 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8229 0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8229 0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2364 1.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2364 1.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2038 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2038 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9001 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9001 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8397 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8397 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9107 1.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9107 1.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8749 1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8749 1.1763 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 30 34 2 0 0 0 0 | + | 30 34 2 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 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 FL3FAHGS0003 | + | ID FL3FAHGS0003 |
| − | FORMULA C22H20O13 | + | FORMULA C22H20O13 |
| − | EXACTMASS 492.090390726 | + | EXACTMASS 492.090390726 |
| − | AVERAGEMASS 492.3864 | + | AVERAGEMASS 492.3864 |
| − | SMILES c(c1)(OC)c(c(cc(C(O4)=CC(c(c34)c(cc(c3)OC(O2)C(O)C(C(O)C2C(O)=O)O)O)=O)1)O)O | + | SMILES c(c1)(OC)c(c(cc(C(O4)=CC(c(c34)c(cc(c3)OC(O2)C(O)C(C(O)C2C(O)=O)O)O)=O)1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
2.4709 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4709 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8998 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8998 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0419 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8159 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4317 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1853 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5128 -0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2038 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6161 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2036 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4055 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6123 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0247 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8229 0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2364 1.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2038 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9001 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8397 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9107 1.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8749 1.1763 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 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 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
30 34 2 0 0 0 0
30 35 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 5
ID FL3FAHGS0003
FORMULA C22H20O13
EXACTMASS 492.090390726
AVERAGEMASS 492.3864
SMILES c(c1)(OC)c(c(cc(C(O4)=CC(c(c34)c(cc(c3)OC(O2)C(O)C(C(O)C2C(O)=O)O)O)=O)1)O)O
M END
