Mol:FL1CBAGS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.2689 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2689 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2689 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2689 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5337 -0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5337 -0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2015 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2015 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2015 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2015 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5337 0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5337 0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9362 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9362 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6694 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4011 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4011 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1311 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1311 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8456 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8456 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5600 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5600 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5600 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5600 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8456 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8456 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1311 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1311 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9362 -1.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9362 -1.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5337 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5337 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0036 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0036 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2742 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2742 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4416 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4416 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9821 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9821 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3204 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3204 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6309 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6309 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1459 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1459 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8218 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8218 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0128 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0128 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5255 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5255 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6441 0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6441 0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9362 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9362 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8844 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8844 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2167 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2167 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.2742 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2742 1.5689 0.0000 O 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 |
− | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
− | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 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 |
− | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 5 29 1 0 0 0 0 | + | 5 29 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 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 29 30 | + | M SAL 1 2 29 30 |
− | M SBL 1 1 32 | + | M SBL 1 1 32 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 32 -0.7348 -0.4242 | + | M SBV 1 32 -0.7348 -0.4242 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
− | M SBL 2 1 34 | + | M SBL 2 1 34 |
− | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
− | M SBV 2 34 0.3950 -0.3950 | + | M SBV 2 34 0.3950 -0.3950 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL1CBAGS0002 | + | ID FL1CBAGS0002 |
− | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
− | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
− | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
− | SMILES C(C1O)(C(C(OC1Oc(c3)cc(OC)c(c3O)C(=O)C=Cc(c2)ccc(O)c2)CO)O)O | + | SMILES C(C1O)(C(C(OC1Oc(c3)cc(OC)c(c3O)C(=O)C=Cc(c2)ccc(O)c2)CO)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/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.2689 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 -0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8456 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8456 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 -1.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3204 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6309 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5255 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6441 0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2167 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2742 1.5689 0.0000 O 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 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 13 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 23 18 1 0 0 0 0 29 30 1 0 0 0 0 5 29 1 0 0 0 0 31 32 1 0 0 0 0 25 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SBV 1 32 -0.7348 -0.4242 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 ^CH2OH M SBV 2 34 0.3950 -0.3950 S SKP 5 ID FL1CBAGS0002 FORMULA C22H24O10 EXACTMASS 448.136946988 AVERAGEMASS 448.41996000000006 SMILES C(C1O)(C(C(OC1Oc(c3)cc(OC)c(c3O)C(=O)C=Cc(c2)ccc(O)c2)CO)O)O M END