Mol:FL2FBCGS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | 0.8294 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8294 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3503 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3503 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8712 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8712 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8712 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8712 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3503 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3503 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8294 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8294 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3921 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3921 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9129 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9129 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9129 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9129 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3921 0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3921 0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3921 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3921 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3227 0.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3227 0.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4926 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4926 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0214 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0214 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5501 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5501 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5501 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5501 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0214 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0214 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4926 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4926 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0788 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0788 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8585 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8585 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4382 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4382 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8329 -0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8329 -0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2020 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2020 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6733 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6733 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2916 -0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2916 -0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0935 -0.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0935 -0.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4861 -0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4861 -0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0214 1.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0214 1.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3850 0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3850 0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6713 1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6713 1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3319 0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3319 0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6750 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6750 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0222 0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0222 0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3616 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3616 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0185 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0185 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0788 0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0788 0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7791 0.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7791 0.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5430 0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5430 0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0523 0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0523 0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3378 -0.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3378 -0.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1089 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1089 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3120 1.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3120 1.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8960 -1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8960 -1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6105 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6105 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 13 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 |
− | 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 |
− | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
− | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
− | 23 12 1 0 0 0 0 | + | 23 12 1 0 0 0 0 |
− | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
− | 20 29 1 0 0 0 0 | + | 20 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 |
− | 29 33 1 0 0 0 0 | + | 29 33 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 |
− | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 2 43 1 0 0 0 0 | + | 2 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 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 -7.2902 5.1499 | + | M SBV 1 43 -7.2902 5.1499 |
− | 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 -7.6198 5.3025 | + | M SBV 2 45 -7.6198 5.3025 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 43 44 | + | M SAL 3 2 43 44 |
− | M SBL 3 1 47 | + | M SBL 3 1 47 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SBV 3 47 -7.9837 4.4490 | + | M SBV 3 47 -7.9837 4.4490 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FBCGS0002 | + | ID FL2FBCGS0002 |
− | KNApSAcK_ID C00008438 | + | KNApSAcK_ID C00008438 |
− | NAME 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside | + | NAME 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside |
− | CAS_RN 114454-39-6 | + | CAS_RN 114454-39-6 |
− | FORMULA C28H34O16 | + | FORMULA C28H34O16 |
− | EXACTMASS 626.18468504 | + | EXACTMASS 626.18468504 |
− | AVERAGEMASS 626.55996 | + | AVERAGEMASS 626.55996 |
− | SMILES O(C(OC(C(O)2)C(CO)OC(Oc(c5)cc(OC)c(c54)C(CC(O4)c(c3)ccc(c3O)O)=O)C2O)1)C(CO)C(O)C(C(O)1)O | + | SMILES O(C(OC(C(O)2)C(CO)OC(Oc(c5)cc(OC)c(c54)C(CC(O4)c(c3)ccc(c3O)O)=O)C2O)1)C(CO)C(O)C(C(O)1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 0.8294 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8294 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 0.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5501 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5501 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0788 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8585 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 -0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 -0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0935 -0.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 1.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6713 1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3319 0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0222 0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3616 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0788 0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 0.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0523 0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 -0.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1089 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 1.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 6 12 1 0 0 0 0 9 13 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 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 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 12 1 0 0 0 0 17 28 1 0 0 0 0 20 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 29 33 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 25 39 1 0 0 0 0 39 40 1 0 0 0 0 35 41 1 0 0 0 0 41 42 1 0 0 0 0 2 43 1 0 0 0 0 43 44 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 -7.2902 5.1499 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 -7.6198 5.3025 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 47 M SMT 3 OCH3 M SBV 3 47 -7.9837 4.4490 S SKP 8 ID FL2FBCGS0002 KNApSAcK_ID C00008438 NAME 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside CAS_RN 114454-39-6 FORMULA C28H34O16 EXACTMASS 626.18468504 AVERAGEMASS 626.55996 SMILES O(C(OC(C(O)2)C(CO)OC(Oc(c5)cc(OC)c(c54)C(CC(O4)c(c3)ccc(c3O)O)=O)C2O)1)C(CO)C(O)C(C(O)1)O M END