Mol:FL2FA8NI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1425 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1425 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1403 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1403 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4233 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4233 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7117 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7117 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7118 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7118 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4272 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4272 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0064 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0064 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7173 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7173 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7154 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7154 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0026 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0026 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4298 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4298 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1426 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1426 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8570 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8570 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8569 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8569 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1424 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1424 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4280 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4280 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0064 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0064 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8570 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8570 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1420 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1420 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1420 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1420 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4272 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4272 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8566 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4276 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4276 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1426 -1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1426 -1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4233 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4233 -2.3503 0.0000 O 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 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NI0006 | + | ID FL2FA8NI0006 |
| − | KNApSAcK_ID C00014156 | + | KNApSAcK_ID C00014156 |
| − | NAME Kushenol S;5,7,2'-Trihydroxy-8-prenylflavanone | + | NAME Kushenol S;5,7,2'-Trihydroxy-8-prenylflavanone |
| − | CAS_RN 254886-72-1 | + | CAS_RN 254886-72-1 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES c(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)(c(O)1)cccc1 | + | SMILES c(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)(c(O)1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1425 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1403 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4233 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7117 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7118 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0064 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7154 -0.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1426 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8570 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8569 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1424 1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4280 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0064 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8570 -0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4276 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1426 -1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4233 -2.3503 0.0000 O 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
12 24 1 0 0 0 0
3 25 1 0 0 0 0
S SKP 8
ID FL2FA8NI0006
KNApSAcK_ID C00014156
NAME Kushenol S;5,7,2'-Trihydroxy-8-prenylflavanone
CAS_RN 254886-72-1
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES c(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)(c(O)1)cccc1
M END
