Mol:FL3FCACS0014
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9986 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9986 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9986 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9986 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2842 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2842 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5697 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5697 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5697 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5697 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2842 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2842 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1447 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1447 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8592 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8592 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8592 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8592 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1447 -0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1447 -0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1447 -2.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1447 -2.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0367 2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0367 2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8145 1.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8145 1.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4846 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4846 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4757 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4757 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8807 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2725 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2725 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3274 2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3274 2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7753 2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7753 2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0312 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0312 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2842 -2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2842 -2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7323 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7323 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4851 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4851 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2381 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2381 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2381 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2381 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4851 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4851 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7323 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7323 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9905 1.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9905 1.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3807 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3807 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7062 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7062 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9203 0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9203 0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7062 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7062 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3807 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3807 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1668 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1668 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1886 2.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1886 2.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6965 2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6965 2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7516 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7516 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9905 0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9905 0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6384 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6384 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5466 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5466 -1.2750 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 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 |
− | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
− | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
− | 15 14 1 1 0 0 0 | + | 15 14 1 1 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
− | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
− | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
− | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 29 1 1 0 0 0 | + | 34 29 1 1 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 |
− | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
− | 29 38 1 0 0 0 0 | + | 29 38 1 0 0 0 0 |
− | 30 20 1 0 0 0 0 | + | 30 20 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 1 39 1 0 0 0 0 | + | 1 39 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 39 40 | + | M SAL 1 2 39 40 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
− | M SBV 1 44 0.6398 -0.3369 | + | M SBV 1 44 0.6398 -0.3369 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FCACS0014 | + | ID FL3FCACS0014 |
− | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
− | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
− | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
− | SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(C3OC(O4)C(O)C(O)C(C4C)O)OCC(O)C(O)3)c(c1)ccc(O)c1 | + | SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(C3OC(O4)C(O)C(O)C(C4C)O)OCC(O)C(O)3)c(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -1.9986 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 -1.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 -0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 -2.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 1.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7753 2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 -2.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 1.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1886 2.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6384 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5466 -1.2750 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 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 12 13 1 1 0 0 0 13 14 1 1 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 6 15 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 9 22 1 0 0 0 0 25 28 1 0 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 29 1 1 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 34 37 1 0 0 0 0 29 38 1 0 0 0 0 30 20 1 0 0 0 0 39 40 1 0 0 0 0 1 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 ^ OCH3 M SBV 1 44 0.6398 -0.3369 S SKP 5 ID FL3FCACS0014 FORMULA C27H30O13 EXACTMASS 562.168641046 AVERAGEMASS 562.5193 SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(C3OC(O4)C(O)C(O)C(C4C)O)OCC(O)C(O)3)c(c1)ccc(O)c1 M END