Mol:FL1CG9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8817 -0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8817 -0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2490 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2490 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0293 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0293 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4422 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4422 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0749 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0749 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2946 -0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2946 -0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2225 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2225 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6354 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6354 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4159 2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4159 2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8286 2.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8286 2.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6070 3.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6070 3.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0234 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0234 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6614 3.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6614 3.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8829 3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8829 3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4665 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4665 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7288 1.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7288 1.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3970 0.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3970 0.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9269 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9269 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4876 0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4876 0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2054 1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2054 1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4289 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4289 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1950 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1950 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3405 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3405 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9281 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9281 -0.6372 0.0000 C 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 11 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -2.5869 -0.2297 | + | M SVB 3 24 -2.5869 -0.2297 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.2297 0.9399 | + | M SVB 2 22 -2.2297 0.9399 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -0.2038 0.6422 | + | M SVB 1 20 -0.2038 0.6422 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CG9NS0001 | + | ID FL1CG9NS0001 |
| − | KNApSAcK_ID C00006982 | + | KNApSAcK_ID C00006982 |
| − | NAME Pedicin;2',5'-Dihydroxy-3',4',6'-trimethoxychalcone | + | NAME Pedicin;2',5'-Dihydroxy-3',4',6'-trimethoxychalcone |
| − | CAS_RN 521-51-7 | + | CAS_RN 521-51-7 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)cccc1 | + | SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 0 0 0 0 0 0999 V2000 -2.8817 -0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4422 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2946 -0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 2.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 3.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0234 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 3.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8829 3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 1.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 0.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4876 0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 -0.6372 0.0000 C 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 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 6 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.5869 -0.2297 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -2.2297 0.9399 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -0.2038 0.6422 S SKP 8 ID FL1CG9NS0001 KNApSAcK_ID C00006982 NAME Pedicin;2',5'-Dihydroxy-3',4',6'-trimethoxychalcone CAS_RN 521-51-7 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)cccc1 M END
