Mol:FL4DACGS0022
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 |
| − | -3.9386 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9386 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4177 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4177 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8968 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8968 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8968 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8968 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4177 0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4177 0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9386 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9386 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3759 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3759 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8550 -0.2418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8550 -0.2418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8550 0.3597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.8550 0.3597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.3759 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3759 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3759 -1.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3759 -1.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2753 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2753 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7466 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7466 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2179 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2179 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2179 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2179 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7466 1.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7466 1.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2753 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2753 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3893 0.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3893 0.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3868 -0.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3868 -0.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3108 1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3108 1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4177 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4177 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3436 -0.1573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.3436 -0.1573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6444 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6444 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.0659 -0.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0659 -0.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5161 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5161 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.8169 -0.1573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.8169 -0.1573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.2384 -0.3225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2384 -0.3225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.9023 -0.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9023 -0.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2800 0.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2800 0.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1713 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1713 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9949 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9949 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7466 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7466 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8541 -2.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8541 -2.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4088 -2.9016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4088 -2.9016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8120 -2.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.8120 -2.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.0847 -3.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0847 -3.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0254 -3.8882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.0254 -3.8882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.6221 -4.1132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.6221 -4.1132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.3496 -3.5366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.3496 -3.5366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.7141 -2.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7141 -2.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7457 -3.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7457 -3.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9095 -4.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9095 -4.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1475 -4.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1475 -4.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3568 -5.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3568 -5.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 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 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 47 | + | M SBL 1 1 47 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 47 4.3893 -2.1854 | + | M SVB 1 47 4.3893 -2.1854 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACGS0022 | + | ID FL4DACGS0022 |
| − | KNApSAcK_ID C00008714 | + | KNApSAcK_ID C00008714 |
| − | NAME Taxifolin 3-galactosyl-(1->6)-glucoside | + | NAME Taxifolin 3-galactosyl-(1->6)-glucoside |
| − | CAS_RN 141736-93-8 | + | CAS_RN 141736-93-8 |
| − | FORMULA C27H32O17 | + | FORMULA C27H32O17 |
| − | EXACTMASS 628.163949598 | + | EXACTMASS 628.163949598 |
| − | AVERAGEMASS 628.53278 | + | AVERAGEMASS 628.53278 |
| − | SMILES c(c(O)1)c(O4)c(C([C@@H]([C@H]4c(c5)ccc(O)c5O)O[C@H](O2)C(C(O)[C@H]([C@@H](CO[C@@H](C3O)O[C@@H]([C@@H](C(O)3)O)CO)2)O)O)=O)c(O)c1 | + | SMILES c(c(O)1)c(O4)c(C([C@@H]([C@H]4c(c5)ccc(O)c5O)O[C@H](O2)C(C(O)[C@H]([C@@H](CO[C@@H](C3O)O[C@@H]([C@@H](C(O)3)O)CO)2)O)O)=O)c(O)c1 |
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
-3.9386 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4177 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8968 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8968 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4177 0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9386 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8550 -0.2418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8550 0.3597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3759 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 -1.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2753 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2179 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2179 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 1.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2753 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3893 0.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3868 -0.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4177 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3436 -0.1573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6444 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0659 -0.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5161 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8169 -0.1573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2384 -0.3225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9023 -0.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 0.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1713 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9949 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 -2.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4088 -2.9016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8120 -2.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0847 -3.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0254 -3.8882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6221 -4.1132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3496 -3.5366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.7141 -2.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7457 -3.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9095 -4.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1475 -4.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 -5.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 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
25 31 1 0 0 0 0
16 32 1 0 0 0 0
19 23 1 0 0 0 0
31 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
33 35 1 0 0 0 0
34 40 1 0 0 0 0
39 41 1 0 0 0 0
38 42 1 0 0 0 0
37 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 47
M SMT 1 CH2OH
M SVB 1 47 4.3893 -2.1854
S SKP 8
ID FL4DACGS0022
KNApSAcK_ID C00008714
NAME Taxifolin 3-galactosyl-(1->6)-glucoside
CAS_RN 141736-93-8
FORMULA C27H32O17
EXACTMASS 628.163949598
AVERAGEMASS 628.53278
SMILES c(c(O)1)c(O4)c(C([C@@H]([C@H]4c(c5)ccc(O)c5O)O[C@H](O2)C(C(O)[C@H]([C@@H](CO[C@@H](C3O)O[C@@H]([C@@H](C(O)3)O)CO)2)O)O)=O)c(O)c1
M END
