Mol:FL5FAIGA0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0573 -5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 -5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5754 -5.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5754 -5.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7950 -4.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7950 -4.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3822 -3.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3822 -3.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2505 -4.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2505 -4.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4702 -4.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4702 -4.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6018 -3.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6018 -3.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1890 -2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1890 -2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4437 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4437 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6634 -3.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6634 -3.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0950 -3.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0950 -3.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8565 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8565 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6325 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6325 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0534 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0534 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6981 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6981 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9220 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9220 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5012 -2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5012 -2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2769 -5.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2769 -5.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6183 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6183 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0690 -0.7619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0690 -0.7619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6814 -1.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.6814 -1.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.4268 -1.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4268 -1.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1768 -1.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.1768 -1.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.5646 -0.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5646 -0.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8190 -0.9749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8190 -0.9749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8116 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8116 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6454 0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6454 0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5646 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5646 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3410 -0.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3410 -0.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4273 -4.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4273 -4.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5386 -1.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5386 -1.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4989 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4989 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6913 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4058 -1.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4058 -1.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2270 -0.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2270 -0.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4007 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4007 0.6204 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 14 35 1 0 0 0 0 | + | 14 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 36 | + | M SBL 3 1 36 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 36 2.6913 -1.406 | + | M SVB 3 36 2.6913 -1.406 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 38 1.2751 0.0541 | + | M SVB 2 38 1.2751 0.0541 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 0.782 1.8185 | + | M SVB 1 34 0.782 1.8185 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAIGA0001 | + | ID FL5FAIGA0001 |
| − | KNApSAcK_ID C00005776 | + | KNApSAcK_ID C00005776 |
| − | NAME Syringetin 3-galactoside | + | NAME Syringetin 3-galactoside |
| − | CAS_RN 55025-56-4 | + | CAS_RN 55025-56-4 |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES C(O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(c(c1OC)O)OC | + | SMILES C(O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(c(c1OC)O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.0573 -5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5754 -5.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7950 -4.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3822 -3.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2505 -4.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4702 -4.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6018 -3.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1890 -2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4437 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6634 -3.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0950 -3.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8565 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6325 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0534 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6981 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5012 -2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2769 -5.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6183 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0690 -0.7619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6814 -1.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4268 -1.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1768 -1.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5646 -0.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8190 -0.9749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8116 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6454 0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5646 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3410 -0.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4273 -4.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5386 -1.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4989 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4058 -1.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2270 -0.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4007 0.6204 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
23 33 1 0 0 0 0
33 34 1 0 0 0 0
14 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 CH2OH
M SVB 3 36 2.6913 -1.406
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 1.2751 0.0541
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 0.782 1.8185
S SKP 8
ID FL5FAIGA0001
KNApSAcK_ID C00005776
NAME Syringetin 3-galactoside
CAS_RN 55025-56-4
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES C(O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(c(c1OC)O)OC
M END
