Mol:FL1AAAGM0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0398 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0398 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0398 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0398 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7542 1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4685 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4685 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4685 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4685 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7542 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2552 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2552 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2296 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2296 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2552 1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2552 1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1829 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1829 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8375 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8375 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0536 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0536 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4667 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4667 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2931 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2931 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7063 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7063 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2931 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2931 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4667 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4667 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5312 0.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5312 0.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0566 -0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0566 -0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7542 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7247 -1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7247 -1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0020 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0020 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8116 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8116 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3959 -0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3959 -0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1187 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1187 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3091 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3091 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5312 -0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5312 -0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8468 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8468 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1060 -1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1060 -1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9827 -2.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9827 -2.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7542 -0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7542 -0.7107 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 |
− | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
− | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
− | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 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 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
− | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
− | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
− | 31 22 1 0 0 0 0 | + | 31 22 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL1AAAGM0001 | + | ID FL1AAAGM0001 |
− | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
− | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
− | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
− | SMILES C(O)(C4C)C(C(C(O4)Oc(c3)c(c(c(C)c3O)1)c(c(=Cc(c2)ccc(c2)O)o1)=O)O)O | + | SMILES C(O)(C4C)C(C(C(O4)Oc(c3)c(c(c(C)c3O)1)c(c(=Cc(c2)ccc(c2)O)o1)=O)O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0398 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0536 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 0.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 -1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 -0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1187 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 -0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 -2.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -0.7107 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 11 2 0 0 0 0 11 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 15 18 1 0 0 0 0 7 19 2 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 6 31 1 0 0 0 0 31 22 1 0 0 0 0 S SKP 5 ID FL1AAAGM0001 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES C(O)(C4C)C(C(C(O4)Oc(c3)c(c(c(C)c3O)1)c(c(=Cc(c2)ccc(c2)O)o1)=O)O)O M END