Mol:FL3FEANSS001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
− | -0.6592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6592 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6592 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0553 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0553 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7697 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7697 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7697 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7697 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0553 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0553 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4842 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4842 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3737 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3737 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0881 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0881 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9131 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9131 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9131 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9131 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1987 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1987 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4842 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4842 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0553 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0553 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8026 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8026 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8026 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8026 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3737 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3737 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6276 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6276 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5171 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5171 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8026 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8026 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6276 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6276 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9776 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9776 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8026 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8026 2.0625 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 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 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
− | 1 8 1 0 0 0 0 | + | 1 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 2 1 0 0 0 0 | + | 11 2 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
− | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
− | 9 18 1 0 0 0 0 | + | 9 18 1 0 0 0 0 |
− | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
− | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
− | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
− | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FEANSS001 | + | ID FL3FEANSS001 |
− | KNApSAcK_ID C00010272 | + | KNApSAcK_ID C00010272 |
− | NAME Hispidulin 7-sulfate | + | NAME Hispidulin 7-sulfate |
− | CAS_RN 110209-96-6 | + | CAS_RN 110209-96-6 |
− | FORMULA C16H12O9S | + | FORMULA C16H12O9S |
− | EXACTMASS 380.020202672 | + | EXACTMASS 380.020202672 |
− | AVERAGEMASS 380.32708 | + | AVERAGEMASS 380.32708 |
− | SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1)OS(O)(=O)=O | + | SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1)OS(O)(=O)=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/ 26 28 0 0 0 0 0 0 0 0999 V2000 -0.6592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9776 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 2.0625 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 2 1 0 0 0 0 7 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 7 1 0 0 0 0 3 17 2 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 14 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 S SKP 8 ID FL3FEANSS001 KNApSAcK_ID C00010272 NAME Hispidulin 7-sulfate CAS_RN 110209-96-6 FORMULA C16H12O9S EXACTMASS 380.020202672 AVERAGEMASS 380.32708 SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1)OS(O)(=O)=O M END