Mol:FL63AANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8645 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8645 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4027 0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4027 0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8006 -0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8006 -0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 0.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 0.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4027 1.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4027 1.3870 0.0000 O 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 8 13 1 6 0 0 0 | + | 8 13 1 6 0 0 0 |
| − | 9 14 1 6 0 0 0 | + | 9 14 1 6 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AANS0002 | + | ID FL63AANS0002 |
| − | KNApSAcK_ID C00008805 | + | KNApSAcK_ID C00008805 |
| − | NAME Epiafzelechin | + | NAME Epiafzelechin |
| − | CAS_RN 24808-04-6 | + | CAS_RN 24808-04-6 |
| − | FORMULA C15H14O5 | + | FORMULA C15H14O5 |
| − | EXACTMASS 274.084123558 | + | EXACTMASS 274.084123558 |
| − | AVERAGEMASS 274.26866 | + | AVERAGEMASS 274.26866 |
| − | SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 | + | SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.8645 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8645 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 -0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 0.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 1.3870 0.0000 O 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
1 11 1 0 0 0 0
3 12 1 0 0 0 0
8 13 1 6 0 0 0
9 14 1 6 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
S SKP 8
ID FL63AANS0002
KNApSAcK_ID C00008805
NAME Epiafzelechin
CAS_RN 24808-04-6
FORMULA C15H14O5
EXACTMASS 274.084123558
AVERAGEMASS 274.26866
SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1
M END
