Mol:FL3F1ACS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6871 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6871 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6871 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6871 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9726 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9726 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2582 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2582 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2582 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2582 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9726 -0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9726 -0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4562 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4562 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1707 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1707 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1707 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1707 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4562 -0.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4562 -0.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4562 -2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4562 -2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1936 -0.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1936 -0.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9643 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9643 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7171 -1.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7171 -1.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4700 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4700 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4700 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4700 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7171 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7171 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9643 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9643 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2224 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2224 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9314 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9314 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7092 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7092 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3792 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3792 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3704 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3704 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7754 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7754 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1671 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1671 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1392 2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1392 2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7539 2.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7539 2.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8639 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8639 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2561 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2561 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0120 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0120 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4687 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4687 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2830 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2830 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5272 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5272 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0704 0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0704 0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2224 0.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2224 0.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9156 1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9156 1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4175 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4175 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8675 -0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8675 -0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6277 1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6277 1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2899 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2899 1.1376 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 39 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 -0.5394 -0.4013 | + | M SBV 1 44 -0.5394 -0.4013 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3F1ACS0002 | + | ID FL3F1ACS0002 |
| − | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
| − | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
| − | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
| − | SMILES C(C=4)(=O)c(c(OC4c(c5)ccc(O)c5)1)ccc(O)c(C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(C2CO)O)1 | + | SMILES C(C=4)(=O)c(c(OC4c(c5)ccc(O)c5)1)ccc(O)c(C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(C2CO)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.6871 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9726 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2582 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2582 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9726 -0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1707 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1707 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 -0.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 -2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1936 -0.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9643 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7171 -1.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4700 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4700 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7171 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9643 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2224 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9314 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7092 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3792 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3704 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7754 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1671 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1392 2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7539 2.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8639 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2561 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0120 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4687 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2830 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5272 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0704 0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2224 0.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9156 1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4175 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8675 -0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2899 1.1376 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
1 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
29 30 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 29 1 0 0 0 0
31 35 1 0 0 0 0
30 36 1 0 0 0 0
29 37 1 0 0 0 0
32 38 1 0 0 0 0
28 33 1 0 0 0 0
39 40 1 0 0 0 0
25 39 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 -0.5394 -0.4013
S SKP 5
ID FL3F1ACS0002
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES C(C=4)(=O)c(c(OC4c(c5)ccc(O)c5)1)ccc(O)c(C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(C2CO)O)1
M END
