Mol:FL3FAEGS0007
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 |
− | -0.0642 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0642 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0642 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0642 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3869 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3869 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8380 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8380 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8380 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8380 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3869 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3869 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2890 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2890 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7401 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7401 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7401 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7401 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2890 0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2890 0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4607 -0.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4607 -0.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1910 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1910 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6507 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6507 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1104 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1104 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1104 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1104 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6507 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6507 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1910 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1910 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6507 2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6507 2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5143 0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5143 0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3869 -0.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3869 -0.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3781 0.6264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3781 0.6264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -2.8625 -0.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8625 -0.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.1200 0.2345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1200 0.2345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -1.4035 0.2422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4035 0.2422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -1.9242 0.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9242 0.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6826 0.4906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6826 0.4906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.9546 0.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9546 0.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5744 -0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5744 -0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4326 -0.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4326 -0.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1708 -3.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1708 -3.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1149 -2.1809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.1149 -2.1809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -1.2621 -2.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2621 -2.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -1.0061 -1.4690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.0061 -1.4690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.5515 -0.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.5515 -0.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -1.2850 -0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2850 -0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5639 -1.7354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.5639 -1.7354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -1.6640 -2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6640 -2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1856 -1.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1856 -1.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7007 1.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7007 1.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4151 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4151 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2917 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2917 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3636 1.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3636 1.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3546 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3546 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2759 -1.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2759 -1.7186 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 |
− | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 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 |
− | 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 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 15 39 1 0 0 0 0 | + | 15 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 26 41 1 0 0 0 0 | + | 26 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 43 44 | + | M SAL 3 2 43 44 |
− | M SBL 3 1 47 | + | M SBL 3 1 47 |
− | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
− | M SVB 3 47 -3.1279 -0.4788 | + | M SVB 3 47 -3.1279 -0.4788 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
− | M SBL 2 1 45 | + | M SBL 2 1 45 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 45 -2.9782 1.298 | + | M SVB 2 45 -2.9782 1.298 |
− | 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 43 | + | M SBL 1 1 43 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 43 3.7007 1.8599 | + | M SVB 1 43 3.7007 1.8599 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FAEGS0007 | + | ID FL3FAEGS0007 |
− | KNApSAcK_ID C00004363 | + | KNApSAcK_ID C00004363 |
− | NAME Luteolin 4'-methyl ether 7-sophoroside | + | NAME Luteolin 4'-methyl ether 7-sophoroside |
− | CAS_RN 75243-37-7 | + | CAS_RN 75243-37-7 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES [C@@H]([C@H]5O)([C@@H](OC([C@@H]5O)CO)O[C@@H]([C@H]4O)[C@@H](OC([C@@H]4O)CO)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3O)OC)c1O)O | + | SMILES [C@@H]([C@H]5O)([C@@H](OC([C@@H]5O)CO)O[C@@H]([C@H]4O)[C@@H](OC([C@@H]4O)CO)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3O)OC)c1O)O |
M END | M END | ||
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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 -0.0642 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -0.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 -0.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 0.6264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8625 -0.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1200 0.2345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4035 0.2422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9242 0.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 0.4906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9546 0.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -0.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -3.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1149 -2.1809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2621 -2.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0061 -1.4690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5515 -0.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2850 -0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 -1.7354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6640 -2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -1.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7007 1.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4151 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2917 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3636 1.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2759 -1.7186 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 16 18 1 0 0 0 0 1 19 1 0 0 0 0 3 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 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 30 31 1 0 0 0 0 34 29 1 0 0 0 0 24 19 1 0 0 0 0 15 39 1 0 0 0 0 39 40 1 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 36 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 47 M SMT 3 CH2OH M SVB 3 47 -3.1279 -0.4788 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 45 M SMT 2 CH2OH M SVB 2 45 -2.9782 1.298 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 43 M SMT 1 OCH3 M SVB 1 43 3.7007 1.8599 S SKP 8 ID FL3FAEGS0007 KNApSAcK_ID C00004363 NAME Luteolin 4'-methyl ether 7-sophoroside CAS_RN 75243-37-7 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES [C@@H]([C@H]5O)([C@@H](OC([C@@H]5O)CO)O[C@@H]([C@H]4O)[C@@H](OC([C@@H]4O)CO)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3O)OC)c1O)O M END