Mol:FL2FALNI0027
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4019 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4019 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8810 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8810 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3602 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3602 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3602 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3602 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8810 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8810 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4019 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4019 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1607 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1607 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6816 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6816 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6816 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6816 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1607 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1607 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2020 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2020 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1607 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1607 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7363 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7363 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2707 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2707 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2707 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2707 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7363 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7363 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2020 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2020 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8810 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8810 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8288 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8288 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8042 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8042 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9716 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9716 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5342 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5342 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0384 -0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0384 -0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0384 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0384 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5179 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5179 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7463 1.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7463 1.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9625 0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9625 0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5179 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5179 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9625 -0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9625 -0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5072 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5072 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3964 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3964 -0.7376 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 17 26 1 0 0 0 0 | + | 17 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0027 | + | ID FL2FALNI0027 |
| − | KNApSAcK_ID C00008545 | + | KNApSAcK_ID C00008545 |
| − | NAME 2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin | + | NAME 2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin |
| − | CAS_RN 157072-26-9 | + | CAS_RN 157072-26-9 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES Oc(c3C(C)(C)C=C)cc(O)c(c3)C(C1)Oc(c2)c(c(c(CC=C(C)C)c2O)O)C(=O)1 | + | SMILES Oc(c3C(C)(C)C=C)cc(O)c(c3)C(C1)Oc(c2)c(c(c(CC=C(C)C)c2O)O)C(=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.4019 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8810 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3602 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3602 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8810 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4019 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1607 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6816 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6816 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1607 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1607 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7363 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2707 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2707 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7363 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8810 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8288 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8042 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5342 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0384 -0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0384 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5179 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7463 1.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5179 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 -0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5072 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3964 -0.7376 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
17 26 1 0 0 0 0
14 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
29 31 2 0 0 0 0
S SKP 8
ID FL2FALNI0027
KNApSAcK_ID C00008545
NAME 2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin
CAS_RN 157072-26-9
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES Oc(c3C(C)(C)C=C)cc(O)c(c3)C(C1)Oc(c2)c(c(c(CC=C(C)C)c2O)O)C(=O)1
M END
