Mol:FL3FAACS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9160 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9160 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9160 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9160 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1644 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1644 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4128 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4128 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4128 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4128 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1644 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1644 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3388 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3388 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0905 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0905 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0905 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0905 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3388 1.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3388 1.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3402 -1.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3402 -1.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1644 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1644 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6674 1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6674 1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8479 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8479 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5624 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5624 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2767 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2767 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2767 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2767 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5624 2.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5624 2.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8479 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8479 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9910 2.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9910 2.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6121 -1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6121 -1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4332 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4332 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0974 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0974 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4901 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4901 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6690 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6690 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0049 -0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0049 -0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9976 -2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9976 -2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8522 -2.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8522 -2.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9910 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9910 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0613 -0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0613 -0.4089 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 2 0 0 0 0 | + | 22 28 2 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0005 | + | ID FL3FAACS0005 |
| − | FORMULA C21H18O9 | + | FORMULA C21H18O9 |
| − | EXACTMASS 414.095082174 | + | EXACTMASS 414.095082174 |
| − | AVERAGEMASS 414.36222 | + | AVERAGEMASS 414.36222 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.9160 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9160 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1644 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4128 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4128 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1644 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3388 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0905 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0905 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3388 1.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3402 -1.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1644 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6674 1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8479 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5624 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2767 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2767 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5624 2.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8479 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9910 2.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6121 -1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4332 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0974 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4901 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0049 -0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9976 -2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8522 -2.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9910 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0613 -0.4089 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
3 12 1 0 0 0 0
1 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
9 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 2 0 0 0 0
21 29 1 0 0 0 0
24 30 1 0 0 0 0
2 25 1 0 0 0 0
S SKP 5
ID FL3FAACS0005
FORMULA C21H18O9
EXACTMASS 414.095082174
AVERAGEMASS 414.36222
SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)c1
M END
