Mol:FL2FAEGS0002
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 |
− | -0.9621 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9621 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9621 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9621 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2669 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2669 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4284 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4284 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4284 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4284 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2669 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2669 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1236 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1236 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8189 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8189 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8189 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8189 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1236 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1236 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5136 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5136 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2283 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2283 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9428 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9428 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9428 1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9428 1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2283 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2283 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5136 1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5136 1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8189 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8189 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2669 -1.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2669 -1.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6569 0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6569 0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3676 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3676 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8303 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8303 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1842 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1842 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3902 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3902 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1227 1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1227 1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9166 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9166 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5923 0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5923 0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3469 0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3469 0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8325 -0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8325 -0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1236 -1.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1236 -1.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3834 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3834 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8774 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8774 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9273 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9273 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9716 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9716 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4775 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4775 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4276 -0.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4276 -0.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9716 -2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9716 -2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3935 -2.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3935 -2.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.4695 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4695 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0710 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0710 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6557 0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6557 0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5412 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5412 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.6483 1.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6483 1.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6557 2.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6557 2.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.6483 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6483 1.6290 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 |
− | 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 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 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 |
− | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 20 23 1 1 0 0 0 | + | 20 23 1 1 0 0 0 |
− | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
− | 23 26 1 0 0 0 0 | + | 23 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 |
− | 7 29 2 0 0 0 0 | + | 7 29 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 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 |
− | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
− | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
− | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
− | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
− | 34 26 1 0 0 0 0 | + | 34 26 1 0 0 0 0 |
− | 13 40 1 0 0 0 0 | + | 13 40 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 14 43 1 0 0 0 0 | + | 14 43 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 41 42 | + | M SAL 1 2 41 42 |
− | M SBL 1 1 46 | + | M SBL 1 1 46 |
− | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
− | M SBV 1 46 0.6246 -0.4284 | + | M SBV 1 46 0.6246 -0.4284 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
− | M SBL 2 1 48 | + | M SBL 2 1 48 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 48 -0.7130 -0.4116 | + | M SBV 2 48 -0.7130 -0.4116 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL2FAEGS0002 | + | ID FL2FAEGS0002 |
− | FORMULA C28H33HO15 | + | FORMULA C28H33HO15 |
− | EXACTMASS 610.189770418 | + | EXACTMASS 610.189770418 |
− | AVERAGEMASS 610.56056 | + | AVERAGEMASS 610.56056 |
− | SMILES c(c1)c(OC)c(O)cc1C([H])(O2)CC(c(c5O)c(cc(c5)OC(C3OC(O4)C(O)C(C(C4C)O)O)OC(C(C3O)O)CO)2)=O | + | SMILES c(c1)c(OC)c(O)cc1C([H])(O2)CC(c(c5O)c(cc(c5)OC(C3OC(O4)C(O)C(C(C4C)O)O)OC(C(C3O)O)CO)2)=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/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.9621 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9621 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 -1.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6569 0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3902 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5923 0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3469 0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8325 -0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -1.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4775 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 -0.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 -2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3935 -2.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4695 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6483 1.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 2.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6483 1.6290 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 4 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 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 9 17 1 1 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 20 23 1 1 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 21 1 0 0 0 0 23 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 7 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 31 38 1 0 0 0 0 30 39 1 0 0 0 0 34 26 1 0 0 0 0 13 40 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 43 44 1 0 0 0 0 14 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 ^CH2OH M SBV 1 46 0.6246 -0.4284 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 OCH3 M SBV 2 48 -0.7130 -0.4116 S SKP 5 ID FL2FAEGS0002 FORMULA C28H33HO15 EXACTMASS 610.189770418 AVERAGEMASS 610.56056 SMILES c(c1)c(OC)c(O)cc1C([H])(O2)CC(c(c5O)c(cc(c5)OC(C3OC(O4)C(O)C(C(C4C)O)O)OC(C(C3O)O)CO)2)=O M END