Mol:FL6FAANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.4252 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 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FAANS0001 | + | ID FL6FAANS0001 |
| − | KNApSAcK_ID C00008753 | + | KNApSAcK_ID C00008753 |
| − | NAME Apigeniflavan | + | NAME Apigeniflavan |
| − | CAS_RN 530-82-5 | + | CAS_RN 530-82-5 |
| − | FORMULA C15H14O4 | + | FORMULA C15H14O4 |
| − | EXACTMASS 258.089208936 | + | EXACTMASS 258.089208936 |
| − | AVERAGEMASS 258.26926000000003 | + | AVERAGEMASS 258.26926000000003 |
| − | SMILES Oc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(O)cc(O)1 | + | SMILES Oc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(O)cc(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/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.9630 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.4252 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 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
S SKP 8
ID FL6FAANS0001
KNApSAcK_ID C00008753
NAME Apigeniflavan
CAS_RN 530-82-5
FORMULA C15H14O4
EXACTMASS 258.089208936
AVERAGEMASS 258.26926000000003
SMILES Oc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(O)cc(O)1
M END
