Mol:FL5FABGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2963 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2963 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2964 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2964 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5952 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5952 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8943 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8943 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8942 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8942 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5952 1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5952 1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1930 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1930 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4920 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4920 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4920 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4920 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1930 1.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1930 1.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1930 -0.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1930 -0.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2087 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2087 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9232 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9232 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6378 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6378 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6378 2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6378 2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9232 2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9232 2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2087 2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2087 2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9971 1.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9971 1.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5952 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5952 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3467 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3467 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6558 -0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6558 -0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8296 -0.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8296 -0.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 -0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 -0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1288 -1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1288 -1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9552 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9552 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1522 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1522 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0097 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0097 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0040 -0.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0040 -0.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3716 -1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3716 -1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3520 2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3520 2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2525 2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2525 2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0575 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0575 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9971 -1.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9971 -1.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8951 -2.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8951 -2.9438 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 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 -0.7142 -0.4124 | + | M SBV 1 34 -0.7142 -0.4124 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 3 32 33 34 | + | M SAL 2 3 32 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 COOH | + | M SMT 2 COOH |
| − | M SBV 2 37 -0.9287 0.4441 | + | M SBV 2 37 -0.9287 0.4441 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FABGS0003 | + | ID FL5FABGS0003 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES O(C)c(c4)ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O | + | SMILES O(C)c(c4)ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-3.2963 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2964 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5952 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8943 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8942 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5952 1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1930 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1930 1.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1930 -0.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9232 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6378 1.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6378 2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9232 2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9971 1.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5952 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3467 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6558 -0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8296 -0.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 -0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1288 -1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9552 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0097 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0040 -0.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3716 -1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3520 2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2525 2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0575 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9971 -1.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8951 -2.9438 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 22 1 0 0 0 0
22 23 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
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 8 1 0 0 0 0
24 23 1 1 0 0 0
30 31 1 0 0 0 0
15 30 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
24 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 -0.7142 -0.4124
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 32 33 34
M SBL 2 1 37
M SMT 2 COOH
M SBV 2 37 -0.9287 0.4441
S SKP 5
ID FL5FABGS0003
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES O(C)c(c4)ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O
M END
