Mol:FLIAALNS0009
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 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7878 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7878 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 -1.4494 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 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 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 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 |
| − | 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 |
| − | 13 23 1 0 0 0 0 | + | 13 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 0.7756 -1.0369 | + | M SVB 2 25 0.7756 -1.0369 |
| − | 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 -0.7282 | + | M SVB 1 23 2.0247 -0.7282 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNS0009 | + | ID FLIAALNS0009 |
| − | KNApSAcK_ID C00009848 | + | KNApSAcK_ID C00009848 |
| − | NAME 2'-Hydroxy-5'-methoxybiochanin A;5,7,2'-Trihydroxy-4',5'-dimethoxyisoflavone | + | NAME 2'-Hydroxy-5'-methoxybiochanin A;5,7,2'-Trihydroxy-4',5'-dimethoxyisoflavone |
| − | CAS_RN 122127-74-6 | + | CAS_RN 122127-74-6 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)c(OC)cc(c(O)3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(OC)cc(c(O)3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1 |
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 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.4494 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 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 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
13 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 0.7756 -1.0369
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 -0.7282
S SKP 8
ID FLIAALNS0009
KNApSAcK_ID C00009848
NAME 2'-Hydroxy-5'-methoxybiochanin A;5,7,2'-Trihydroxy-4',5'-dimethoxyisoflavone
CAS_RN 122127-74-6
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)c(OC)cc(c(O)3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M END
