Mol:FL2FE9GS0001
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 |
| − | -0.5004 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5004 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5004 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5004 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2140 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2140 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9285 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9285 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9285 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9285 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2140 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2140 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6429 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6429 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3574 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3574 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3574 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3574 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6429 0.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6429 0.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0716 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0716 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7998 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7998 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5279 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5279 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5279 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5279 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7998 1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7998 1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0716 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0716 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6429 -1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6429 -1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2146 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2146 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2140 -2.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2140 -2.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5775 0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5775 0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1328 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1328 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4925 0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4925 0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8250 0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8250 0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3236 0.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3236 0.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9777 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9777 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1821 0.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1821 0.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7215 -0.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7215 -0.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8354 -0.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8354 -0.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2146 -1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2146 -1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5405 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5405 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5279 -0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5279 -0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7581 2.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7581 2.0471 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 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 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 |
| − | 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 |
| − | 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 3 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 35 0.5628 -0.4624 | + | M SBV 1 35 0.5628 -0.4624 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FE9GS0001 | + | ID FL2FE9GS0001 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O)O)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
-0.5004 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5004 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2140 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9285 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9285 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2140 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6429 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3574 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3574 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6429 0.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0716 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7998 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5279 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5279 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7998 1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0716 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6429 -1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2146 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2140 -2.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5775 0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1328 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4925 0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8250 0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3236 0.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9777 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1821 0.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7215 -0.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 -0.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2146 -1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5405 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5279 -0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7581 2.0471 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 1 0 0 0 0
9 10 1 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
7 17 2 0 0 0 0
1 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 18 1 0 0 0 0
2 29 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
25 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^ COOH
M SBV 1 35 0.5628 -0.4624
S SKP 5
ID FL2FE9GS0001
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O)O)O
M END
