Mol:FLND2ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9335 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 0.4814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7556 0.4814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9335 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3888 0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3888 0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3888 0.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3888 0.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2908 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2908 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7908 2.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7908 2.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 1 0 0 0 | + | 5 6 1 1 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 8 3 2 0 0 0 0 | + | 8 3 2 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 5 18 1 6 0 0 0 | + | 5 18 1 6 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.2908 2.099 | + | M SVB 1 21 -1.2908 2.099 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLND2ANS0001 | + | ID FLND2ANS0001 |
| − | KNApSAcK_ID C00010253 | + | KNApSAcK_ID C00010253 |
| − | NAME (S)-4'-Hydroxy-4-methoxydalbergione | + | NAME (S)-4'-Hydroxy-4-methoxydalbergione |
| − | CAS_RN 3755-63-3 | + | CAS_RN 3755-63-3 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES COc(c2)c(=O)cc(c(=O)2)[C@]([H])(C=C)c(c1)ccc(O)c1 | + | SMILES COc(c2)c(=O)cc(c(=O)2)[C@]([H])(C=C)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-0.9335 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 0.4814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3323 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 0.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7908 2.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 1 0 0 0
6 7 2 0 0 0 0
8 3 2 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 2 0 0 0 0
5 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
9 17 2 0 0 0 0
5 18 1 6 0 0 0
14 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.2908 2.099
S SKP 8
ID FLND2ANS0001
KNApSAcK_ID C00010253
NAME (S)-4'-Hydroxy-4-methoxydalbergione
CAS_RN 3755-63-3
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c2)c(=O)cc(c(=O)2)[C@]([H])(C=C)c(c1)ccc(O)c1
M END
