Mol:FLIAFCNS0001
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6538 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5199 -1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3488 1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3488 1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9124 2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9124 2.6867 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 |
| − | 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 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 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 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 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -1.3488 1.787 | + | M SVB 2 25 -1.3488 1.787 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.0247 -0.9637 | + | M SVB 1 23 2.0247 -0.9637 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAFCNS0001 | + | ID FLIAFCNS0001 |
| − | KNApSAcK_ID C00009475 | + | KNApSAcK_ID C00009475 |
| − | NAME 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone | + | NAME 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone |
| − | CAS_RN 56419-18-2 | + | CAS_RN 56419-18-2 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(OC)c(O)c1 | + | SMILES COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(OC)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3488 1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9124 2.6867 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
8 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
13 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
6 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 25
M SMT 2 OCH3
M SVB 2 25 -1.3488 1.787
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0247 -0.9637
S SKP 8
ID FLIAFCNS0001
KNApSAcK_ID C00009475
NAME 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
CAS_RN 56419-18-2
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(OC)c(O)c1
M END
