Mol:FL3FECGS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2473 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2473 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2473 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2473 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5328 -1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5328 -1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1815 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1815 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1815 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1815 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5328 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5328 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8959 -1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8959 -1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6104 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6104 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6104 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6104 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8959 0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8959 0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8959 -2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8959 -2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3245 0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3245 0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0526 -0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0526 -0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7807 0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7807 0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7807 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7807 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0526 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0526 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3245 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3245 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0526 2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0526 2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5444 1.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5444 1.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5328 -2.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5328 -2.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9601 0.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9601 0.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9601 -1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9601 -1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8094 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8094 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8299 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8299 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3513 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3513 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3321 0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3321 0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2607 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2607 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8094 2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8094 2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8299 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8299 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8299 0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8299 0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5444 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5444 0.5863 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 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 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 27 21 1 0 0 0 0 | + | 27 21 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 0.0000 0.5168 | + | M SBV 1 33 0.0000 0.5168 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0010 | + | ID FL3FECGS0010 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(O)C(C1O)(COC1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)O | + | SMILES C(O)C(C1O)(COC1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.2473 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5328 -1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5328 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8959 -1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6104 -1.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6104 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8959 0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8959 -2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3245 0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0526 -0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7807 0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7807 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0526 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3245 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0526 2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5444 1.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5328 -2.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9601 0.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9601 -1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8094 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8299 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3513 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3321 0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2607 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8094 2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8299 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8299 0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5444 0.5863 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 23 1 0 0 0 0
23 28 1 0 0 0 0
27 21 1 0 0 0 0
24 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 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 33
M SMT 1 CH2OH
M SBV 1 33 0.0000 0.5168
S SKP 5
ID FL3FECGS0010
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(O)C(C1O)(COC1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)O
M END
