Mol:FL5FACGM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4077 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4077 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4077 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4077 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6933 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6933 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9788 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9788 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9788 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9788 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6933 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6933 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2644 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2644 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5499 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5499 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5499 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5499 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2644 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2644 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2644 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2644 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1643 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1643 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8925 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8925 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6206 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6206 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6206 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6206 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8925 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8925 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1643 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1643 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2825 -1.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2825 -1.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5013 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5013 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0035 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0035 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9609 -1.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9609 -1.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9241 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9241 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4220 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4220 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4646 -1.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4646 -1.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8178 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8178 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9364 -0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9364 -0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1923 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1923 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3485 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3485 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6933 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6933 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1923 0.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1923 0.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6933 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6933 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8925 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8925 2.2881 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGM0001 | + | ID FL5FACGM0001 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2C3=O)c(C)c(O)cc2O)c(c1)cc(c(O)c1)O | + | SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2C3=O)c(C)c(O)cc2O)c(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-3.4077 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4077 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6933 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9788 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9788 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6933 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2644 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5499 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5499 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2644 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2644 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1643 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8925 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6206 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6206 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8925 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1643 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2825 -1.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5013 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0035 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9609 -1.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9241 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4646 -1.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8178 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9364 -0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1923 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3485 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6933 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1923 0.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6933 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8925 2.2881 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
6 31 1 0 0 0 0
16 32 1 0 0 0 0
S SKP 5
ID FL5FACGM0001
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2C3=O)c(C)c(O)cc2O)c(c1)cc(c(O)c1)O
M END
