Mol:FL7AAHGL0004
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 |
− | -3.1538 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1538 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1537 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1537 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4390 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4390 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7243 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7243 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7243 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7243 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4390 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4390 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0095 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0095 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2948 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2948 0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0094 0.4380 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.0094 0.4380 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 0.4197 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4197 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1482 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1482 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8768 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8768 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8768 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8768 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1482 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1482 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4198 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4198 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8682 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8682 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5775 1.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5775 1.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4390 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4390 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6296 -1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6296 -1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5387 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5387 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1941 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1941 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8568 -2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8568 -2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5235 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5235 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8682 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8682 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2055 -2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2055 -2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8459 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8459 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5700 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5700 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2254 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2254 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8882 -1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8882 -1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5549 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5549 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8996 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8996 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2369 -1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2369 -1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9794 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9794 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6391 -0.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6391 -0.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4851 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4851 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2696 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2696 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7027 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7027 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5996 -2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5996 -2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4540 -3.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4540 -3.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5235 -3.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5235 -3.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6051 0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6051 0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1482 2.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1482 2.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7154 3.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7154 3.6068 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 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 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
− | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 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 |
− | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
− | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
− | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
− | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
− | 13 42 1 0 0 0 0 | + | 13 42 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 15 43 1 0 0 0 0 | + | 15 43 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 43 44 | + | M SAL 1 2 43 44 |
− | M SBL 1 1 48 | + | M SBL 1 1 48 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 48 0.0000 -0.7543 | + | M SBV 1 48 0.0000 -0.7543 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AAHGL0004 | + | ID FL7AAHGL0004 |
− | FORMULA C28H33O16 | + | FORMULA C28H33O16 |
− | EXACTMASS 625.176860008 | + | EXACTMASS 625.176860008 |
− | AVERAGEMASS 625.55202 | + | AVERAGEMASS 625.55202 |
− | SMILES c(c1)(c(O)5)c(cc(O)c5)[o+1]c(c(c4)cc(c(O)c4OC)O)c1OC(O2)C(O)C(O)C(C(COC(O3)C(C(C(O)C(C)3)O)O)2)O | + | SMILES c(c1)(c(O)5)c(cc(O)c5)[o+1]c(c(c4)cc(c(O)c4OC)O)c1OC(O2)C(O)C(O)C(C(COC(O3)C(C(C(O)C(C)3)O)O)2)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 -3.1538 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0094 0.4380 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.4197 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1482 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1482 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 1.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 -1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8568 -2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2055 -2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2254 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 -1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 -1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -0.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 -1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 -2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -3.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -3.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1482 2.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 3.6068 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 20 1 0 0 0 0 13 42 1 0 0 0 0 43 44 1 0 0 0 0 15 43 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 48 M SMT 1 OCH3 M SBV 1 48 0.0000 -0.7543 S SKP 5 ID FL7AAHGL0004 FORMULA C28H33O16 EXACTMASS 625.176860008 AVERAGEMASS 625.55202 SMILES c(c1)(c(O)5)c(cc(O)c5)[o+1]c(c(c4)cc(c(O)c4OC)O)c1OC(O2)C(O)C(O)C(C(COC(O3)C(C(C(O)C(C)3)O)O)2)O M END