Mol:FL2FA9NM0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7824 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7824 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7812 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7812 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0645 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0645 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3523 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3523 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3524 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3524 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0669 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0669 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6355 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6355 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0767 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0767 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0755 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0755 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6380 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6380 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7921 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7921 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5055 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5055 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2199 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2199 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2198 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2198 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5053 1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5053 1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7909 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7909 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6398 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6398 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0687 -1.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0687 -1.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4948 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4948 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0669 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0669 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9281 0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9281 0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4948 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4948 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4426 -1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4426 -1.0010 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NM0016 | + | ID FL2FA9NM0016 |
| − | KNApSAcK_ID C00014151 | + | KNApSAcK_ID C00014151 |
| − | NAME Isomatteucinol;5,7-Dihydroxy-3'-methoxy-6,8-dimethylflavanone | + | NAME Isomatteucinol;5,7-Dihydroxy-3'-methoxy-6,8-dimethylflavanone |
| − | CAS_RN 160098-91-9 | + | CAS_RN 160098-91-9 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES O(C(c(c3)cc(OC)cc3)2)c(c1C)c(C(=O)C2)c(c(c1O)C)O | + | SMILES O(C(c(c3)cc(OC)cc3)2)c(c1C)c(C(=O)C2)c(c(c1O)C)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/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.7824 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7812 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0645 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3523 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3524 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0669 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6355 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0755 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6380 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7921 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5055 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2198 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7909 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6398 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0687 -1.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4948 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0669 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4948 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4426 -1.0010 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
6 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
S SKP 8
ID FL2FA9NM0016
KNApSAcK_ID C00014151
NAME Isomatteucinol;5,7-Dihydroxy-3'-methoxy-6,8-dimethylflavanone
CAS_RN 160098-91-9
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES O(C(c(c3)cc(OC)cc3)2)c(c1C)c(C(=O)C2)c(c(c1O)C)O
M END
