Mol:FL1CRTNI0004
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
− | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -2.4750 0.0000 C 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 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
− | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CRTNI0004 | + | ID FL1CRTNI0004 |
− | KNApSAcK_ID C00014487 | + | KNApSAcK_ID C00014487 |
− | NAME Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone | + | NAME Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone |
− | CAS_RN 325144-68-1 | + | CAS_RN 325144-68-1 |
− | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
− | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
− | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
− | SMILES c(OC)(c(C=CC(=O)c(c2)ccc(c2O)O)1)c(c(O)cc1)CC=C(C)C | + | SMILES c(OC)(c(C=CC(=O)c(c2)ccc(c2O)O)1)c(c(O)cc1)CC=C(C)C |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 0 0 0 0 0 0999 V2000 -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 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 3 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FL1CRTNI0004 KNApSAcK_ID C00014487 NAME Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone CAS_RN 325144-68-1 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES c(OC)(c(C=CC(=O)c(c2)ccc(c2O)O)1)c(c(O)cc1)CC=C(C)C M END