Mol:FL3FAADS0003
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 |
| − | -0.6238 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6238 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6238 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6238 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0675 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0675 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4888 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4888 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4888 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4888 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0675 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0675 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0451 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0451 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6014 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6014 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6014 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6014 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0451 -0.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0451 -0.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0451 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0451 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1799 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1799 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2193 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2193 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8056 -0.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8056 -0.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3918 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3918 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3918 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3918 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8056 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8056 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2193 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2193 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9776 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9776 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1572 1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1572 1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4483 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4483 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1914 0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1914 0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1845 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1845 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2788 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2788 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0263 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0263 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0046 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0046 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4832 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4832 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8269 0.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8269 0.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0675 -2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0675 -2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4638 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4638 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0926 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0926 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5581 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5581 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 -0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 -0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4171 -0.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4171 -0.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8848 -0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8848 -0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9776 -1.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9776 -1.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6713 -1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6713 -1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2519 -1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2519 -1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2832 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2832 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4863 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4863 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4891 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4891 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2035 1.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2035 1.0699 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 |
| − | 3 29 1 0 0 0 0 | + | 3 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 12 1 0 0 0 0 | + | 33 12 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 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 43 | + | M SBL 1 1 43 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 43 -6.0713 6.4854 | + | M SBV 1 43 -6.0713 6.4854 |
| − | 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 45 | + | M SBL 2 1 45 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 45 -5.1575 5.9987 | + | M SBV 2 45 -5.1575 5.9987 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAADS0003 | + | ID FL3FAADS0003 |
| − | KNApSAcK_ID C00006215 | + | KNApSAcK_ID C00006215 |
| − | NAME Vitexin 7-O-glucoside | + | NAME Vitexin 7-O-glucoside |
| − | CAS_RN 35109-95-6 | + | CAS_RN 35109-95-6 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES C(C1O)(C(C(c(c24)c(OC(C5O)OC(C(O)C5O)CO)cc(c(C(=O)C=C(O4)c(c3)ccc(O)c3)2)O)OC1CO)O)O | + | SMILES C(C1O)(C(C(c(c24)c(OC(C5O)OC(C(O)C5O)CO)cc(c(C(=O)C=C(O4)c(c3)ccc(O)c3)2)O)OC1CO)O)O |
M END | M END | ||
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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
-0.6238 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6238 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0451 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6014 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6014 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0451 -0.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0451 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1799 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 -0.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3918 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3918 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9776 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1572 1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4483 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1845 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2788 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0263 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0046 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4832 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8269 0.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4638 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0926 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5581 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4171 -0.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8848 -0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9776 -1.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6713 -1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2519 -1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2832 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4863 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4891 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 1.0699 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
3 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 12 1 0 0 0 0
35 39 1 0 0 0 0
39 40 1 0 0 0 0
25 41 1 0 0 0 0
41 42 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 43
M SMT 1 ^CH2OH
M SBV 1 43 -6.0713 6.4854
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 45
M SMT 2 CH2OH
M SBV 2 45 -5.1575 5.9987
S SKP 8
ID FL3FAADS0003
KNApSAcK_ID C00006215
NAME Vitexin 7-O-glucoside
CAS_RN 35109-95-6
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C1O)(C(C(c(c24)c(OC(C5O)OC(C(O)C5O)CO)cc(c(C(=O)C=C(O4)c(c3)ccc(O)c3)2)O)OC1CO)O)O
M END
