Mol:FL3FAAGS0024
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 |
− | -0.6714 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6714 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6714 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6714 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0297 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0297 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7307 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7307 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7307 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7307 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0297 0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0297 0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4317 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1327 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1327 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1327 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1327 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4317 0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4317 -1.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -1.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8335 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8335 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5480 0.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5480 0.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2625 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2625 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2625 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2625 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5480 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5480 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8335 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8335 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3721 0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3721 0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0297 -1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0297 -1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9767 1.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9767 1.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3834 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3834 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7985 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7985 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9564 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9564 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1439 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1439 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7343 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7343 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5946 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5946 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3821 1.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3821 1.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5850 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5850 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2798 -0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2798 -0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9019 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9019 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3616 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3616 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4776 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4776 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5882 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5882 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1284 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1284 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0125 -1.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0125 -1.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9950 -2.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9950 -2.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9767 -1.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9767 -1.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6317 -1.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6317 -1.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5882 -2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5882 -2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1827 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1827 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6620 2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6620 2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5323 2.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5323 2.3308 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 |
− | 1 18 1 0 0 0 0 | + | 1 18 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 |
− | 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 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
− | 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 |
− | 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 |
− | 34 29 1 0 0 0 0 | + | 34 29 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 |
− | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
− | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
− | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
− | 26 40 1 0 0 0 0 | + | 26 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 3 40 41 42 | + | M SAL 1 3 40 41 42 |
− | M SBL 1 1 46 | + | M SBL 1 1 46 |
− | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
− | M SBV 1 46 0.5882 -0.8764 | + | M SBV 1 46 0.5882 -0.8764 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FAAGS0024 | + | ID FL3FAAGS0024 |
− | FORMULA C27H28O15 | + | FORMULA C27H28O15 |
− | EXACTMASS 592.1428202259999 | + | EXACTMASS 592.1428202259999 |
− | AVERAGEMASS 592.5022200000001 | + | AVERAGEMASS 592.5022200000001 |
− | SMILES c(c5O)c(cc(c45)OC(=CC4=O)c(c3)ccc(c3)O)OC(O1)C(OC(C2O)OC(C)C(C2O)O)C(C(C1C(O)=O)O)O | + | SMILES c(c5O)c(cc(c45)OC(=CC4=O)c(c3)ccc(c3)O)OC(O1)C(OC(C2O)OC(C)C(C2O)O)C(C(C1C(O)=O)O)O |
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 -0.6714 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 0.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 -1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9767 1.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5946 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3821 1.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3616 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4776 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1284 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -1.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -2.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9767 -1.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6317 -1.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1827 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 2.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 2.3308 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 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 34 29 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 30 38 1 0 0 0 0 33 39 1 0 0 0 0 24 18 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 26 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 40 41 42 M SBL 1 1 46 M SMT 1 ^ COOH M SBV 1 46 0.5882 -0.8764 S SKP 5 ID FL3FAAGS0024 FORMULA C27H28O15 EXACTMASS 592.1428202259999 AVERAGEMASS 592.5022200000001 SMILES c(c5O)c(cc(c45)OC(=CC4=O)c(c3)ccc(c3)O)OC(O1)C(OC(C2O)OC(C)C(C2O)O)C(C(C1C(O)=O)O)O M END