Mol:FLIABBGM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2728 0.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2728 0.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5519 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5519 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8311 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8311 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1105 0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1105 0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1105 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1105 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6368 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6368 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3842 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3842 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3842 0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3842 0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6368 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6368 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5516 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5516 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8311 -1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8311 -1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6368 -2.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6368 -2.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1310 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1310 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1310 -2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1310 -2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8455 -2.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8455 -2.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5599 -2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5599 -2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5599 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5599 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8455 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8455 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7092 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7092 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0287 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0287 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2447 0.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2447 0.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0287 1.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0287 1.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7092 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7092 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4933 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4933 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3975 2.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3975 2.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0287 2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0287 2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1041 1.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1041 1.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3042 0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3042 0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8311 1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8311 1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3042 -2.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3042 -2.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2352 -2.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2352 -2.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8311 -2.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8311 -2.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0948 -2.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0948 -2.6179 0.0000 C 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 7 1 0 0 0 0 | + | 6 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 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 19 1 1 0 0 0 | + | 24 19 1 1 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 11 32 1 0 0 0 0 | + | 11 32 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 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -0.7443 0.4297 | + | M SBV 1 34 -0.7443 0.4297 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 0.0000 0.8738 | + | M SBV 2 36 0.0000 0.8738 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIABBGM0001 | + | ID FLIABBGM0001 |
| − | FORMULA C24H26O9 | + | FORMULA C24H26O9 |
| − | EXACTMASS 458.15768243 | + | EXACTMASS 458.15768243 |
| − | AVERAGEMASS 458.45784 | + | AVERAGEMASS 458.45784 |
| − | SMILES c(c1C)(OC(O4)C(O)C(C(O)C(C)4)O)cc(OC)c(C(=O)2)c1OC=C2c(c3)ccc(OC)c3 | + | SMILES c(c1C)(OC(O4)C(O)C(C(O)C(C)4)O)cc(OC)c(C(=O)2)c1OC=C2c(c3)ccc(OC)c3 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.2728 0.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5519 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6368 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3842 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3842 0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6368 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5516 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 -1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6368 -2.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1310 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1310 -2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 -2.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5599 -2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5599 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7092 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2447 0.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 1.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7092 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4933 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3975 2.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1041 1.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3042 0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3042 -2.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2352 -2.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8311 -2.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0948 -2.6179 0.0000 C 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 19 1 1 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
24 27 1 0 0 0 0
19 28 1 0 0 0 0
20 1 1 0 0 0 0
3 29 1 0 0 0 0
30 31 1 0 0 0 0
16 30 1 0 0 0 0
32 33 1 0 0 0 0
11 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -0.7443 0.4297
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 0.0000 0.8738
S SKP 5
ID FLIABBGM0001
FORMULA C24H26O9
EXACTMASS 458.15768243
AVERAGEMASS 458.45784
SMILES c(c1C)(OC(O4)C(O)C(C(O)C(C)4)O)cc(OC)c(C(=O)2)c1OC=C2c(c3)ccc(OC)c3
M END
