Mol:FL5FAAGL0017
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 |
− | -2.3346 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3346 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3346 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3346 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6333 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6333 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9320 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9320 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9320 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9320 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6333 0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6333 0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2308 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2308 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4705 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4705 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4705 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4705 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2308 0.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2308 0.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2308 -1.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2308 -1.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1715 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1715 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8861 0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8861 0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6008 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6008 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6008 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6008 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8861 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8861 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1715 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1715 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6333 -1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6333 -1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0356 0.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0356 0.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3153 1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3153 1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3134 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3134 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7041 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7041 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9120 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9120 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1634 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1634 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9120 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9120 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7041 2.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7041 2.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4528 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4528 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3831 3.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3831 3.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9120 2.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9120 2.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1226 2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1226 2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3717 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3717 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1516 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1516 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7048 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7048 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9220 -1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9220 -1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9413 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9413 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7742 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7742 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5571 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5571 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5377 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5377 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8719 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8719 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2823 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2823 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5198 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5198 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.3717 -3.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3717 -3.0441 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 |
− | 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 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 21 34 1 0 0 0 0 | + | 21 34 1 0 0 0 0 |
− | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 36 41 1 0 0 0 0 | + | 36 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 -0.7456 0.0437 | + | M SBV 1 46 -0.7456 0.0437 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGL0017 | + | ID FL5FAAGL0017 |
− | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
− | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
− | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
− | SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(C(O)4)O)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O | + | SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(C(O)4)O)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O |
M END | M END | ||
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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 -2.3346 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 0.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 -1.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0356 0.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3153 1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7041 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1634 1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7041 2.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4528 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3831 3.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 2.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1226 2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9413 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2823 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -3.0441 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 19 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 37 32 1 0 0 0 0 33 39 1 0 0 0 0 21 34 1 0 0 0 0 38 40 1 0 0 0 0 41 42 1 0 0 0 0 36 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 -0.7456 0.0437 S SKP 5 ID FL5FAAGL0017 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(C(O)4)O)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O M END