Mol:FL2FALNS0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.4813 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4813 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4813 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4813 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7668 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7668 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0524 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0524 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0524 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0524 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7668 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7668 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3379 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3379 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3766 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3766 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3766 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3766 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3379 -0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3379 -0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1351 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1351 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8495 -0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8495 -0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5640 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5640 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5640 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5640 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8495 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8495 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1351 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1351 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3379 -2.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3379 -2.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7668 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7668 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1424 -0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1424 -0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8495 -1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8495 -1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8495 2.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8495 2.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7890 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7890 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4872 2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4872 2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1935 1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1935 1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7890 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7890 0.8183 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNS0007 | + | ID FL2FALNS0007 |
| − | KNApSAcK_ID C00014134 | + | KNApSAcK_ID C00014134 |
| − | NAME 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone | + | NAME 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| − | CAS_RN 625111-93-5 | + | CAS_RN 625111-93-5 |
| − | FORMULA C18H18O7 | + | FORMULA C18H18O7 |
| − | EXACTMASS 346.10525293 | + | EXACTMASS 346.10525293 |
| − | AVERAGEMASS 346.33132 | + | AVERAGEMASS 346.33132 |
| − | SMILES c(OC)(c1)c(OC)cc(c(C(O2)CC(c(c(O)3)c2cc(OC)c3)=O)1)O | + | SMILES c(OC)(c1)c(OC)cc(c(C(O2)CC(c(c(O)3)c2cc(OC)c3)=O)1)O |
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
-2.4813 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4813 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7668 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0524 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0524 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7668 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1351 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 -0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1351 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -2.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7668 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1424 -0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 -1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 2.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7890 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4872 2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1935 1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7890 0.8183 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 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
12 20 1 0 0 0 0
15 21 1 0 0 0 0
19 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL2FALNS0007
KNApSAcK_ID C00014134
NAME 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone
CAS_RN 625111-93-5
FORMULA C18H18O7
EXACTMASS 346.10525293
AVERAGEMASS 346.33132
SMILES c(OC)(c1)c(OC)cc(c(C(O2)CC(c(c(O)3)c2cc(OC)c3)=O)1)O
M END
