Mol:FL5FFANS0017
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 |
| − | -1.9630 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9519 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9519 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4204 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4204 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9519 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9519 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.1526 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0017 | + | ID FL5FFANS0017 |
| − | KNApSAcK_ID C00004922 | + | KNApSAcK_ID C00004922 |
| − | NAME Herbacetin 8-acetate | + | NAME Herbacetin 8-acetate |
| − | CAS_RN 83677-10-5 | + | CAS_RN 83677-10-5 |
| − | FORMULA C17H12O8 | + | FORMULA C17H12O8 |
| − | EXACTMASS 344.05321735999996 | + | EXACTMASS 344.05321735999996 |
| − | AVERAGEMASS 344.27238 | + | AVERAGEMASS 344.27238 |
| − | SMILES CC(=O)Oc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)1 | + | SMILES CC(=O)Oc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9519 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4204 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9519 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.1526 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 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 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
15 25 1 0 0 0 0
S SKP 8
ID FL5FFANS0017
KNApSAcK_ID C00004922
NAME Herbacetin 8-acetate
CAS_RN 83677-10-5
FORMULA C17H12O8
EXACTMASS 344.05321735999996
AVERAGEMASS 344.27238
SMILES CC(=O)Oc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)1
M END
