Mol:FL2FA8NI0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4022 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4022 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4022 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4022 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8459 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2896 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2896 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2896 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2896 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8459 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2667 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2667 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8230 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8230 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8230 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8230 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2667 -0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2667 -0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3791 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3791 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9461 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9461 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5130 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5130 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5130 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5130 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9461 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9461 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3791 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3791 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2667 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2667 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8459 -2.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 -2.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9583 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9583 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8459 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8459 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4020 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4020 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4020 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4020 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8123 0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8123 0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9581 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5130 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5130 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9581 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9581 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9581 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9581 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4032 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4032 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5130 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5130 2.6856 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 1 0 0 0 0 | + | 8 9 1 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 |
− | 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FA8NI0001 | + | ID FL2FA8NI0001 |
− | KNApSAcK_ID C00008270 | + | KNApSAcK_ID C00008270 |
− | NAME Kushenol A | + | NAME Kushenol A |
− | CAS_RN 99217-63-7 | + | CAS_RN 99217-63-7 |
− | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
− | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
− | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
− | SMILES c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O | + | SMILES c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.4022 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 -0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -0.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 -2.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 2.6856 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2FA8NI0001 KNApSAcK_ID C00008270 NAME Kushenol A CAS_RN 99217-63-7 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O M END