Mol:FL3FACGS0024
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
− | -0.1137 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1137 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1137 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1137 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5154 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5154 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1445 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1445 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1445 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1445 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5154 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5154 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7736 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7736 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4028 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4028 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4028 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4028 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7736 0.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7736 0.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7736 -1.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7736 -1.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0317 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0317 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6729 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6729 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3141 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3141 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3141 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3141 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6729 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6729 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0317 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0317 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8383 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8383 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5154 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5154 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1430 1.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1430 1.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6729 2.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6729 2.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4021 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4021 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6830 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6830 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6474 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6474 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6480 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6480 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3742 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3742 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4321 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4321 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1430 0.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1430 0.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6171 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6171 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8050 -0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8050 -0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8423 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8423 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4076 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4076 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3204 -1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3204 -1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2268 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2268 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6613 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6613 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7485 -1.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7485 -1.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0715 -2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0715 -2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9626 -1.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9626 -1.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7109 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7109 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2268 -2.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2268 -2.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2347 1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2347 1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2383 0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2383 0.8585 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 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 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 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 27 41 1 0 0 0 0 | + | 27 41 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 0.8027 -0.6710 | + | M SBV 1 46 0.8027 -0.6710 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FACGS0024 | + | ID FL3FACGS0024 |
− | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
− | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
− | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
− | SMILES c(C(=O)5)(c1OC(=C5)c(c4)cc(c(c4)O)O)c(O)cc(OC(C2OC(O3)C(C(O)C(O)C(C)3)O)OC(CO)C(C2O)O)c1 | + | SMILES c(C(=O)5)(c1OC(=C5)c(c4)cc(c(c4)O)O)c(O)cc(OC(C2OC(O3)C(C(O)C(O)C(C)3)O)OC(CO)C(C2O)O)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.1137 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 0.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -1.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3141 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3141 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 1.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 2.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3742 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 0.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6171 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8423 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4076 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3204 -1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6613 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7485 -1.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0715 -2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9626 -1.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7109 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 -2.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2383 0.8585 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 1 2 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 35 30 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 31 39 1 0 0 0 0 34 40 1 0 0 0 0 25 18 1 0 0 0 0 41 42 1 0 0 0 0 27 41 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 0.8027 -0.6710 S SKP 5 ID FL3FACGS0024 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(C(=O)5)(c1OC(=C5)c(c4)cc(c(c4)O)O)c(O)cc(OC(C2OC(O3)C(C(O)C(O)C(C)3)O)OC(CO)C(C2O)O)c1 M END