Mol:FL3FADGS0005
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -0.6137 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6137 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6137 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6137 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0874 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0874 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7883 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7883 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7883 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7883 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0874 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0874 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4894 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4894 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1905 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1905 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1905 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1905 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4894 -0.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4894 -0.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4894 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4894 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8913 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8913 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6058 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6058 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3203 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3203 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3203 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3203 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6058 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6058 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8913 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8913 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0874 -2.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0874 -2.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9697 0.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9697 0.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3133 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3133 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2358 -0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2358 -0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6748 -1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6748 -1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8670 -0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8670 -0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0875 -0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0875 -0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6540 -0.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6540 -0.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3606 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3606 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9697 -0.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9697 -0.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4448 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4448 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1553 -1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1553 -1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6058 1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6058 1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2095 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2095 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9963 -0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9963 -0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6132 -0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6132 -0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6994 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6994 0.3000 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 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 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 |
− | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 26 32 1 0 0 0 0 | + | 26 32 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 30 31 | + | M SAL 1 2 30 31 |
− | M SBL 1 1 34 | + | M SBL 1 1 34 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 34 0.0000 -0.7073 | + | M SBV 1 34 0.0000 -0.7073 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 3 32 33 34 | + | M SAL 2 3 32 33 34 |
− | M SBL 2 1 37 | + | M SBL 2 1 37 |
− | M SMT 2 ^ COOH | + | M SMT 2 ^ COOH |
− | M SBV 2 37 0.6357 -0.5385 | + | M SBV 2 37 0.6357 -0.5385 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FADGS0005 | + | ID FL3FADGS0005 |
− | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
− | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
− | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
− | SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(O1)C(O)C(C(O)C1C(O)=O)O)O)=O)OC | + | SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(O1)C(O)C(C(O)C1C(O)=O)O)O)=O)OC |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.6137 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6137 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 -0.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6058 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6058 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -2.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9697 0.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2358 -0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 -1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -0.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3606 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9697 -0.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4448 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1553 -1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6058 1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2095 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 -0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6132 -0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 0.3000 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 19 15 1 0 0 0 0 1 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 24 20 1 0 0 0 0 30 31 1 0 0 0 0 16 30 1 0 0 0 0 32 34 1 0 0 0 0 32 33 2 0 0 0 0 26 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 0.0000 -0.7073 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 32 33 34 M SBL 2 1 37 M SMT 2 ^ COOH M SBV 2 37 0.6357 -0.5385 S SKP 5 ID FL3FADGS0005 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES c(c4O)(cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC(O1)C(O)C(C(O)C1C(O)=O)O)O)=O)OC M END