Mol:FLIAABGS0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
− | -0.9448 0.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9448 0.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2286 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2286 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4876 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4876 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2036 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2036 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2036 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2036 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9461 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9461 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6886 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6886 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6886 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6886 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9461 0.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9461 0.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2283 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2283 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4876 -1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4876 -1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9461 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9461 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4307 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4307 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4307 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4307 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1405 -2.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1405 -2.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8504 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8504 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8504 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8504 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1405 -0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1405 -0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6371 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6371 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0754 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0754 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4334 0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4334 0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6364 0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6364 0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2641 0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2641 0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9198 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9198 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4367 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4367 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8513 -0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8513 -0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7269 -0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7269 -0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5025 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5025 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5133 1.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5133 1.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4876 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4876 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7302 2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7302 2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7046 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7046 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.3250 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3250 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.2046 1.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2046 1.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0908 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0908 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7046 2.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7046 2.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7302 2.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7302 2.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4596 -2.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4596 -2.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5747 -2.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5747 -2.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7046 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7046 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.5747 2.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.5747 2.5181 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
− | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
− | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
− | 7 13 1 0 0 0 0 | + | 7 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 |
− | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 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 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
− | 29 28 1 0 0 0 0 | + | 29 28 1 0 0 0 0 |
− | 11 30 1 0 0 0 0 | + | 11 30 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
− | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 35 29 1 0 0 0 0 | + | 35 29 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 16 38 1 0 0 0 0 | + | 16 38 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 32 40 1 0 0 0 0 | + | 32 40 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 38 39 | + | M SAL 1 2 38 39 |
− | M SBL 1 1 43 | + | M SBL 1 1 43 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 43 -0.6092 0.3517 | + | M SBV 1 43 -0.6092 0.3517 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 40 41 | + | M SAL 2 2 40 41 |
− | M SBL 2 1 45 | + | M SBL 2 1 45 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SBV 2 45 0.0000 0.4483 | + | M SBV 2 45 0.0000 0.4483 |
− | S SKP 5 | + | S SKP 5 |
− | ID FLIAABGS0005 | + | ID FLIAABGS0005 |
− | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
− | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
− | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
− | SMILES C(C1OCC(O2)C(O)C(C(O)C2Oc(c5)cc(c(c54)C(=O)C(=CO4)c(c3)ccc(OC)c3)O)O)(C(CO)(CO1)O)O | + | SMILES C(C1OCC(O2)C(O)C(C(O)C2Oc(c5)cc(c(c54)C(=O)C(=CO4)c(c3)ccc(OC)c3)O)O)(C(CO)(CO1)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/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.9448 0.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2286 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4876 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2036 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2036 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 0.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2283 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4876 -1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1405 -2.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1405 -0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0754 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4334 0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4367 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 -0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 -0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5133 1.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4876 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7302 2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7046 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2046 1.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7046 2.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7302 2.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4596 -2.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 -2.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7046 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5747 2.5181 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 24 28 1 0 0 0 0 22 1 1 0 0 0 0 29 28 1 0 0 0 0 11 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 31 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 35 29 1 0 0 0 0 38 39 1 0 0 0 0 16 38 1 0 0 0 0 40 41 1 0 0 0 0 32 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 43 M SMT 1 OCH3 M SBV 1 43 -0.6092 0.3517 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 45 M SMT 2 CH2OH M SBV 2 45 0.0000 0.4483 S SKP 5 ID FLIAABGS0005 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES C(C1OCC(O2)C(O)C(C(O)C2Oc(c5)cc(c(c54)C(=O)C(=CO4)c(c3)ccc(OC)c3)O)O)(C(CO)(CO1)O)O M END