Mol:FLIDQUNS0002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1039 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1039 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5476 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9913 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9913 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5476 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4350 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1213 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1213 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4350 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6774 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6774 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2722 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8670 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8670 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2722 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4292 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4292 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4612 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2722 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5476 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4612 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9612 2.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9612 2.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5693 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2837 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2837 0.4097 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 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 |
− | 8 11 1 0 0 0 0 | + | 8 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 1 0 0 0 0 | + | 13 14 1 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 14 18 2 0 0 0 0 | + | 14 18 2 0 0 0 0 |
− | 13 19 2 0 0 0 0 | + | 13 19 2 0 0 0 0 |
− | 6 20 1 0 0 0 0 | + | 6 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 |
− | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
− | M SBL 2 1 26 | + | M SBL 2 1 26 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 26 1.5693 0.8222 | + | M SVB 2 26 1.5693 0.8222 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
− | M SBL 1 1 24 | + | M SBL 1 1 24 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 24 -2.4612 1.477 | + | M SVB 1 24 -2.4612 1.477 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIDQUNS0002 | + | ID FLIDQUNS0002 |
− | KNApSAcK_ID C00009706 | + | KNApSAcK_ID C00009706 |
− | NAME Bryaquinone | + | NAME Bryaquinone |
− | CAS_RN 57684-35-2 | + | CAS_RN 57684-35-2 |
− | FORMULA C17H12O7 | + | FORMULA C17H12O7 |
− | EXACTMASS 328.058302738 | + | EXACTMASS 328.058302738 |
− | AVERAGEMASS 328.27297999999996 | + | AVERAGEMASS 328.27297999999996 |
− | SMILES COc(c4)c(O)c(O3)c(c4)c(o1)c(C3)c(c(OC)2)c(c(=O)c(=O)c2)1 | + | SMILES COc(c4)c(O)c(O3)c(c4)c(o1)c(C3)c(c(OC)2)c(c(=O)c(=O)c2)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -2.1039 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 2.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 0.4097 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 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 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 14 18 2 0 0 0 0 13 19 2 0 0 0 0 6 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 1.5693 0.8222 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.4612 1.477 S SKP 8 ID FLIDQUNS0002 KNApSAcK_ID C00009706 NAME Bryaquinone CAS_RN 57684-35-2 FORMULA C17H12O7 EXACTMASS 328.058302738 AVERAGEMASS 328.27297999999996 SMILES COc(c4)c(O)c(O3)c(c4)c(o1)c(C3)c(c(OC)2)c(c(=O)c(=O)c2)1 M END