Mol:FL2FA9NI0013
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 |
| − | -0.8466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2660 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2660 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2660 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2660 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9347 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9347 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5017 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5017 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0686 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0686 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0686 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0686 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5017 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5017 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9347 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9347 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4027 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4027 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4027 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4027 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9588 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9588 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5137 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5137 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0686 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0686 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5137 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5137 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2903 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2903 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 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 FL2FA9NI0013 | + | ID FL2FA9NI0013 |
| − | KNApSAcK_ID C00008187 | + | KNApSAcK_ID C00008187 |
| − | NAME 6-C-Prenyl-8-C-methylpinocembrin | + | NAME 6-C-Prenyl-8-C-methylpinocembrin |
| − | CAS_RN 101959-25-5 | + | CAS_RN 101959-25-5 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES c(C(=O)2)(c3O)c(c(c(c(CC=C(C)C)3)O)C)OC(C2)c(c1)cccc1 | + | SMILES c(C(=O)2)(c3O)c(c(c(c(CC=C(C)C)3)O)C)OC(C2)c(c1)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
-0.8466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2660 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2660 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5017 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0686 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0686 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5017 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9588 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5137 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0686 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5137 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 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
7 17 2 0 0 0 0
6 18 1 0 0 0 0
1 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
S SKP 8
ID FL2FA9NI0013
KNApSAcK_ID C00008187
NAME 6-C-Prenyl-8-C-methylpinocembrin
CAS_RN 101959-25-5
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES c(C(=O)2)(c3O)c(c(c(c(CC=C(C)C)3)O)C)OC(C2)c(c1)cccc1
M END
