Mol:FL2FE9NI0001
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 |
| − | -1.8475 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8475 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8452 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8452 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4166 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4166 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1321 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1321 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3015 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3015 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0123 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0123 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0105 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0105 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2977 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2977 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7249 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7249 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4377 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4377 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1521 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1521 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1519 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1519 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4374 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4374 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7230 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7230 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3015 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3015 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5619 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5619 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8469 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8469 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8469 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8469 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1321 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1321 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5615 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5615 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1325 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1325 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4658 -1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4658 -1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1521 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1521 -1.2004 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 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE9NI0001 | + | ID FL2FE9NI0001 |
| − | KNApSAcK_ID C00014159 | + | KNApSAcK_ID C00014159 |
| − | NAME Agrandol;5,7-Dihydroxy-6-methoxy-8-prenylflavanone | + | NAME Agrandol;5,7-Dihydroxy-6-methoxy-8-prenylflavanone |
| − | CAS_RN 253786-74-2 | + | CAS_RN 253786-74-2 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c(O)3)c(c(c(c(CC=C(C)C)3)1)C(=O)CC(c(c2)cccc2)O1)O | + | SMILES COc(c(O)3)c(c(c(c(CC=C(C)C)3)1)C(=O)CC(c(c2)cccc2)O1)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
-1.8475 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8452 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4166 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1321 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3015 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0123 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0105 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2977 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1521 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1519 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4374 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7230 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3015 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5619 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8469 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8469 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1321 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5615 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1325 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4658 -1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 -1.2004 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
2 25 1 0 0 0 0
25 26 1 0 0 0 0
S SKP 8
ID FL2FE9NI0001
KNApSAcK_ID C00014159
NAME Agrandol;5,7-Dihydroxy-6-methoxy-8-prenylflavanone
CAS_RN 253786-74-2
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c(O)3)c(c(c(c(CC=C(C)C)3)1)C(=O)CC(c(c2)cccc2)O1)O
M END
