Mol:FL7AAGGO0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6076 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6076 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6076 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6076 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1787 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1787 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1787 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1787 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4642 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4642 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2502 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2502 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2502 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2502 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4642 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.4642 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9644 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9644 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6925 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6925 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4207 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4207 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4207 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4207 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6925 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6925 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9644 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9644 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6925 2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6925 2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3218 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3218 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1487 1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1487 1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 -2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 -2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7846 -1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7846 -1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9928 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9928 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6484 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6484 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3108 -1.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3108 -1.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9772 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9772 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3218 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3218 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6594 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6594 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4370 -1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4370 -1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9459 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9459 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3026 -0.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3026 -0.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1487 -0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1487 -0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 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 |
| − | 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGS0001 | + | ID FL7AAGGS0001 |
| − | FORMULA C20H19O11 | + | FORMULA C20H19O11 |
| − | EXACTMASS 435.09273645 | + | EXACTMASS 435.09273645 |
| − | AVERAGEMASS 435.35826000000003 | + | AVERAGEMASS 435.35826000000003 |
| − | SMILES C(O1)(Oc(c(c(c4)cc(O)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c(c(c4)cc(O)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.6076 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6076 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4642 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2502 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2502 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4642 0.1865 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.9644 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6925 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6925 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9644 1.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6925 2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3218 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1487 1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 -2.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7846 -1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9928 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6484 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3108 -1.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3218 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6594 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4370 -1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9459 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3026 -0.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1487 -0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
15 17 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
13 31 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGS0001
FORMULA C20H19O11
EXACTMASS 435.09273645
AVERAGEMASS 435.35826000000003
SMILES C(O1)(Oc(c(c(c4)cc(O)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O
M END
