Mol:FL2FACGS0014
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 |
| − | -0.8220 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8220 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1094 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1094 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8188 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8188 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1021 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1021 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6106 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6106 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6069 0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6069 0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3269 -1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3269 -1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0395 -0.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0395 -0.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0358 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0358 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3196 0.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3196 0.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6896 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6896 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4057 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4057 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1185 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1185 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1154 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1154 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3993 1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3993 1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6864 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6864 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3279 -1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3279 -1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4475 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4475 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1021 -1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1021 -1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7713 1.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7713 1.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7492 0.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7492 0.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2139 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2139 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8013 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8013 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0029 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0029 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2095 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2095 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6220 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6220 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4204 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4204 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7704 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7704 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7713 0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7713 0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3905 0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3905 0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4460 -0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4460 -0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4414 1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4414 1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4151 1.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4151 1.2455 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 |
| − | 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 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 28 32 2 0 0 0 0 | + | 28 32 2 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FACGS0014 | + | ID FL2FACGS0014 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES C(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)cc(c(O)c2)O)1)(O)C(O)C(C(C(O)=O)O1)O | + | SMILES C(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)cc(c(O)c2)O)1)(O)C(O)C(C(C(O)=O)O1)O |
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
-0.8220 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1094 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8188 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1021 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6106 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6069 0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3269 -1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0395 -0.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0358 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3196 0.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6896 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4057 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1185 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1154 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3993 1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3279 -1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4475 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1021 -1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7713 1.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7492 0.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2139 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8013 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0029 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2095 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6220 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4204 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7704 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7713 0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3905 0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4460 -0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4414 1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4151 1.2455 0.0000 O 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
4 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 2 0 0 0 0
28 33 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL2FACGS0014
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)cc(c(O)c2)O)1)(O)C(O)C(C(C(O)=O)O1)O
M END
