Mol:FL5FACGL0007
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 |
− | -2.9158 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9158 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9158 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9158 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3594 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3594 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8031 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8031 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8031 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8031 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3594 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3594 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2468 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2468 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6905 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6905 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6905 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6905 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2468 1.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2468 1.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2468 -0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2468 -0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1344 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1344 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4325 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9995 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9995 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9995 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9995 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4325 2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1344 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1344 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4718 1.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4718 1.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2964 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2964 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3594 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3594 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6334 2.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6334 2.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0942 -0.9059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0942 -0.9059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.4886 -0.5694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.4886 -0.5694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.3037 -1.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3037 -1.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4886 -1.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.4886 -1.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 0.0942 -2.2040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0942 -2.2040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.0907 -1.5569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0907 -1.5569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.0732 -0.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0732 -0.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3708 -1.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3708 -1.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4300 -3.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4300 -3.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1285 0.3963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.1285 0.3963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 1.5709 -0.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5709 -0.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.2080 0.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2080 0.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.8227 0.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8227 0.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.3760 0.5135 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.3760 0.5135 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.8187 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8187 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8813 -0.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8813 -0.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1396 -0.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1396 -0.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9967 -0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9967 -0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4325 3.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 3.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0070 -2.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0070 -2.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0067 -2.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0067 -2.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4828 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4828 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0662 1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0662 1.4630 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 |
− | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 19 1 0 0 0 0 | + | 23 19 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 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 |
− | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
− | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
− | 16 40 1 0 0 0 0 | + | 16 40 1 0 0 0 0 |
− | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 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 47 | + | M SBL 2 1 47 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 47 2.7574 0.5051 | + | M SVB 2 47 2.7574 0.5051 |
− | 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 45 | + | M SBL 1 1 45 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SVB 1 45 0.0799 -2.6174 | + | M SVB 1 45 0.0799 -2.6174 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGL0007 | + | ID FL5FACGL0007 |
− | KNApSAcK_ID C00005407 | + | KNApSAcK_ID C00005407 |
− | NAME Quercetin 3-galactosyl-(1->2)-glucoside | + | NAME Quercetin 3-galactosyl-(1->2)-glucoside |
− | CAS_RN 152695-31-3 | + | CAS_RN 152695-31-3 |
− | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
− | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
− | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
− | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)O | + | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)O |
M END | M END | ||
− |
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 -2.9158 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9158 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3594 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3594 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 1.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 -0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 1.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3594 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 2.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -0.9059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4886 -0.5694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3037 -1.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 -1.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0942 -2.2040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0907 -1.5569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0732 -0.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 -1.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -3.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 0.3963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5709 -0.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2080 0.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8227 0.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3760 0.5135 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8187 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -0.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 -0.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 -0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 3.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -2.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0067 -2.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4828 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 1.4630 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 19 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 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 28 31 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 25 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 47 M SMT 2 CH2OH M SVB 2 47 2.7574 0.5051 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 CH2OH M SVB 1 45 0.0799 -2.6174 S SKP 8 ID FL5FACGL0007 KNApSAcK_ID C00005407 NAME Quercetin 3-galactosyl-(1->2)-glucoside CAS_RN 152695-31-3 FORMULA C27H30O17 EXACTMASS 626.148299534 AVERAGEMASS 626.5169000000001 SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)O M END