Mol:FL3FAACS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4938 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4938 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4938 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4938 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7793 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7793 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0648 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0648 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0648 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0648 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7793 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7793 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6496 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6496 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3641 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3641 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3641 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3641 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6496 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6496 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6496 -1.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6496 -1.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0783 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0783 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8065 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8065 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5347 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5347 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5347 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5347 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8065 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8065 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0783 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0783 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2626 1.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2626 1.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7793 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7793 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1610 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1610 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6843 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6843 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9978 -1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9978 -1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3355 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3355 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8168 -0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8168 -0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4174 -1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4174 -1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0118 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0118 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2626 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2626 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4320 -1.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4320 -1.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2080 0.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2080 0.6066 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0003 | + | ID FL3FAACS0003 |
| − | FORMULA C20H18O9 | + | FORMULA C20H18O9 |
| − | EXACTMASS 402.095082174 | + | EXACTMASS 402.095082174 |
| − | AVERAGEMASS 402.35152 | + | AVERAGEMASS 402.35152 |
| − | SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)ccc(O)c2)C(O)C1O | + | SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)ccc(O)c2)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.4938 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4938 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0648 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0648 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3641 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3641 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 -1.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0783 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8065 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5347 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5347 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8065 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0783 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2626 1.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1610 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6843 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9978 -1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8168 -0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4174 -1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0118 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2626 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4320 -1.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2080 0.6066 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 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
15 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 2 1 0 0 0 0
1 29 1 0 0 0 0
S SKP 5
ID FL3FAACS0003
FORMULA C20H18O9
EXACTMASS 402.095082174
AVERAGEMASS 402.35152
SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)ccc(O)c2)C(O)C1O
M END
