Mol:FL5FGCNS0006
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5253 -3.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -3.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1100 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1100 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1074 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1074 -0.9072 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
− | M SBL 3 1 28 | + | M SBL 3 1 28 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 28 -1.0494 0.7182 | + | M SVB 3 28 -1.0494 0.7182 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
− | M SBL 2 1 26 | + | M SBL 2 1 26 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 26 -2.5983 -0.7269 | + | M SVB 2 26 -2.5983 -0.7269 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
− | M SBL 1 1 24 | + | M SBL 1 1 24 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 24 -2.241 0.4428 | + | M SVB 1 24 -2.241 0.4428 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FGCNS0006 | + | ID FL5FGCNS0006 |
− | KNApSAcK_ID C00004791 | + | KNApSAcK_ID C00004791 |
− | NAME 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone | + | NAME 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone |
− | CAS_RN 102673-79-0 | + | CAS_RN 102673-79-0 |
− | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
− | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
− | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
− | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)cc(O)c(O)c1 | + | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)cc(O)c(O)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -3.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 -0.9072 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 -1.0494 0.7182 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -2.5983 -0.7269 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.241 0.4428 S SKP 8 ID FL5FGCNS0006 KNApSAcK_ID C00004791 NAME 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone CAS_RN 102673-79-0 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)cc(O)c(O)c1 M END