Mol:FL2FAANI0019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4453 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4453 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4431 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4431 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7261 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7261 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0146 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0146 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7299 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7299 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2964 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2964 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4145 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4145 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4126 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4126 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3002 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3002 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1271 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1271 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8398 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8398 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5542 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5542 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5541 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5541 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8396 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8396 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1252 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1252 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2964 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2964 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1598 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1598 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4448 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4448 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4448 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4448 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7299 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7299 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1593 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1593 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7304 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7304 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7261 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7261 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1598 1.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1598 1.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0637 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0637 -1.5966 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 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0019 | + | ID FL2FAANI0019 |
| − | KNApSAcK_ID C00014157 | + | KNApSAcK_ID C00014157 |
| − | NAME 5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone | + | NAME 5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone |
| − | CAS_RN 261776-60-7 | + | CAS_RN 261776-60-7 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES c(c12)(C(=O)CC(c(c3)ccc(O)c3)O2)c(c(c(O)c1CC=C(C)C)C)O | + | SMILES c(c12)(C(=O)CC(c(c3)ccc(O)c3)O2)c(c(c(O)c1CC=C(C)C)C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4453 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4431 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0146 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7299 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2964 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4126 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3002 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1271 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8398 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5542 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5541 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8396 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1252 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2964 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1598 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4448 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4448 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7299 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1593 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7304 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1598 1.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0637 -1.5966 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 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
9 11 1 6 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
1 18 1 0 0 0 0
6 21 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
3 24 1 0 0 0 0
14 25 1 0 0 0 0
2 26 1 0 0 0 0
S SKP 8
ID FL2FAANI0019
KNApSAcK_ID C00014157
NAME 5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone
CAS_RN 261776-60-7
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES c(c12)(C(=O)CC(c(c3)ccc(O)c3)O2)c(c(c(O)c1CC=C(C)C)C)O
M END
