Mol:FL3FADCS0008
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 |
| − | -1.7504 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7504 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7504 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7504 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0359 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0359 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3215 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3215 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3215 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3215 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0359 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0359 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3930 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3930 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1074 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1074 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1074 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1074 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3930 -0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3930 -0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3930 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3930 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4645 -0.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4645 -0.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8092 2.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8092 2.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5869 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5869 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2569 0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2569 0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2481 0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2481 0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6530 0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6530 0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0448 1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0448 1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9762 3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9762 3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5869 2.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5869 2.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6307 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6307 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0359 -3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0359 -3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9804 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9804 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7332 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7332 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4861 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4861 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4861 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4861 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7332 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7332 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9804 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9804 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2385 0.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2385 0.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1729 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1729 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6962 -2.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6962 -2.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0097 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0097 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3475 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3475 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8287 -1.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8287 -1.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4292 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4292 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8327 -2.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8327 -2.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4392 -2.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4392 -2.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4581 -2.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4581 -2.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5562 1.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5562 1.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3614 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3614 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9153 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9153 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8327 -1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8327 -1.1237 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 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 |
| − | 25 41 1 0 0 0 0 | + | 25 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 -0.4887 -0.4887 | + | M SBV 1 44 -0.4887 -0.4887 |
| − | 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 -0.4292 0.1946 | + | M SBV 2 46 -0.4292 0.1946 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADCS0008 | + | ID FL3FADCS0008 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c1O)c(c(C(=O)4)c(OC(=C4)c(c3)cc(OC)c(O)c3)c1C(O2)C(C(C(O)C2CO)O)O)O | + | SMILES C(C5O)OC(C(C5O)O)c(c1O)c(c(C(=O)4)c(OC(=C4)c(c3)cc(OC)c(O)c3)c1C(O2)C(C(C(O)C2CO)O)O)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
-1.7504 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7504 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0359 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3215 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3215 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0359 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 -0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4645 -0.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8092 2.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5869 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6530 0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0448 1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9762 3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5869 2.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6307 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0359 -3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7332 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4861 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4861 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7332 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2385 0.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1729 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6962 -2.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0097 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3475 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8287 -1.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4292 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8327 -2.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4392 -2.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4581 -2.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5562 1.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3614 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8327 -1.1237 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
26 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 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
25 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 -0.4887 -0.4887
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 -0.4292 0.1946
S SKP 5
ID FL3FADCS0008
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C5O)OC(C(C5O)O)c(c1O)c(c(C(=O)4)c(OC(=C4)c(c3)cc(OC)c(O)c3)c1C(O2)C(C(C(O)C2CO)O)O)O
M END
