Mol:FL3FABCS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4134 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4134 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4134 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4134 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6990 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6990 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9846 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9846 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9846 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9846 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6990 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6990 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2702 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2702 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4443 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4443 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4443 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4443 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2702 -0.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2702 -0.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2702 -2.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2702 -2.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9200 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9200 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5341 2.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5341 2.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3118 1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3118 1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9819 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9819 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9730 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9730 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3780 0.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3780 0.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7697 1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7697 1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8187 2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8187 2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3345 2.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3345 2.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4253 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4253 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6990 -2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6990 -2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3174 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3174 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0702 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0702 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8231 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8231 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8231 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8231 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0702 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0702 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3174 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3174 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9247 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9247 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2500 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2500 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4641 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4641 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2500 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2500 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9247 1.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9247 1.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7107 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7107 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6373 2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6373 2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2500 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2500 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2748 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2748 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4930 0.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4930 0.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2871 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2871 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3697 1.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3697 1.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5755 0.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5755 0.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4930 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4930 0.3856 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 9 23 1 0 0 0 0 | + | 9 23 1 0 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 29 1 1 0 0 0 | + | 34 29 1 1 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 29 38 1 0 0 0 0 | + | 29 38 1 0 0 0 0 |
| − | 30 21 1 0 0 0 0 | + | 30 21 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 18 39 1 0 0 0 0 | + | 18 39 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 26 41 1 0 0 0 0 | + | 26 41 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 -0.4826 -0.4733 | + | M SBV 1 44 -0.4826 -0.4733 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
| − | M SBL 2 1 46 | + | M SBL 2 1 46 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 46 -0.7524 -0.4343 | + | M SBV 2 46 -0.7524 -0.4343 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABCS0005 | + | ID FL3FABCS0005 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES C(O)C(O1)C(O)C(C(OC(O5)C(O)C(O)C(C(C)5)O)C(c(c(O)4)c(O2)c(c(c4)O)C(=O)C=C2c(c3)ccc(OC)c3)1)O | + | SMILES C(O)C(O1)C(O)C(C(OC(O5)C(O)C(O)C(C(C)5)O)C(c(c(O)4)c(O2)c(c(c4)O)C(=O)C=C2c(c3)ccc(OC)c3)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.4134 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4134 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9846 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9846 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -0.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -2.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5341 2.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9730 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3780 0.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7697 1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8187 2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3345 2.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4253 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9247 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2500 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4641 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2500 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9247 1.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7107 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6373 2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2500 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2748 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4930 0.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2871 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3697 1.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5755 0.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4930 0.3856 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
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
9 23 1 0 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 29 1 1 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
34 37 1 0 0 0 0
29 38 1 0 0 0 0
30 21 1 0 0 0 0
39 40 1 0 0 0 0
18 39 1 0 0 0 0
41 42 1 0 0 0 0
26 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.4826 -0.4733
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.7524 -0.4343
S SKP 5
ID FL3FABCS0005
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES C(O)C(O1)C(O)C(C(OC(O5)C(O)C(O)C(C(C)5)O)C(c(c(O)4)c(O2)c(c(c4)O)C(=O)C=C2c(c3)ccc(OC)c3)1)O
M END
