Mol:FL3FBBCS0001
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 |
| − | -2.4358 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4358 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4358 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4358 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7214 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7214 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0069 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0069 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0069 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0069 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7214 0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7214 0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2925 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2925 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4220 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4220 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4220 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4220 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2925 0.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2925 0.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1420 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1420 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8210 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8210 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5001 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5001 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5001 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5001 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8210 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8210 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1420 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1420 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2925 -1.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2925 -1.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4560 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4560 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1993 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1993 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3871 1.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3871 1.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6979 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6979 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0152 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0152 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7571 1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7571 1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0968 2.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0968 2.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8787 1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8787 1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9896 2.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9896 2.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9667 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9667 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1500 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1500 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1791 1.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1791 1.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0968 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0968 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7030 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7030 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7853 -2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7853 -2.4023 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 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -0.6790 -0.3920 | + | M SBV 1 33 -0.6790 -0.3920 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 35 -0.0184 0.7025 | + | M SBV 2 35 -0.0184 0.7025 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FBBCS0001 | + | ID FL3FBBCS0001 |
| − | FORMULA C23H24O9 | + | FORMULA C23H24O9 |
| − | EXACTMASS 444.14203236599997 | + | EXACTMASS 444.14203236599997 |
| − | AVERAGEMASS 444.43126 | + | AVERAGEMASS 444.43126 |
| − | SMILES c(c1)c(ccc1C(=C4)Oc(c3C4=O)c(c(cc3OC)O)C(C2O)OC(C)C(C2O)O)OC | + | SMILES c(c1)c(ccc1C(=C4)Oc(c3C4=O)c(c(cc3OC)O)C(C2O)OC(C)C(C2O)O)OC |
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
-2.4358 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4358 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7214 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0069 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0069 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7214 0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4220 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4220 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 0.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8210 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5001 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5001 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8210 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 -1.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4560 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1993 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3871 1.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6979 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0152 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7571 1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0968 2.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8787 1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9896 2.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9667 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1500 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1791 1.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0968 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7030 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 -2.4023 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 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
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
9 11 1 0 0 0 0
7 17 2 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
22 26 1 0 0 0 0
23 27 1 0 0 0 0
6 21 1 0 0 0 0
1 28 1 0 0 0 0
29 30 1 0 0 0 0
14 29 1 0 0 0 0
31 32 1 0 0 0 0
3 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -0.6790 -0.3920
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 OCH3
M SBV 2 35 -0.0184 0.7025
S SKP 5
ID FL3FBBCS0001
FORMULA C23H24O9
EXACTMASS 444.14203236599997
AVERAGEMASS 444.43126
SMILES c(c1)c(ccc1C(=C4)Oc(c3C4=O)c(c(cc3OC)O)C(C2O)OC(C)C(C2O)O)OC
M END
