Mol:FL5FAANC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4941 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4941 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4322 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4322 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9378 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9378 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3815 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3815 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3815 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3815 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9378 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9378 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1748 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1748 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7311 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7311 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7311 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7311 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1748 0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1748 0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1748 -1.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1748 -1.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2872 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2872 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8542 -0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8542 -0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4212 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4212 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4212 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4212 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8542 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8542 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2872 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2872 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3109 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3109 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9378 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9378 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9880 1.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9880 1.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0502 0.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0502 0.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9378 0.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9378 0.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4939 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4939 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4939 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4939 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9921 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9921 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4902 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4902 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4902 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4902 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9921 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9921 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9880 1.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9880 1.8762 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANC0001 | + | ID FL5FAANC0001 |
| − | KNApSAcK_ID C00005035 | + | KNApSAcK_ID C00005035 |
| − | NAME 8-C-p-Hydroxybenzylkaempferol | + | NAME 8-C-p-Hydroxybenzylkaempferol |
| − | CAS_RN 163399-33-5 | + | CAS_RN 163399-33-5 |
| − | FORMULA C22H16O7 | + | FORMULA C22H16O7 |
| − | EXACTMASS 392.089602866 | + | EXACTMASS 392.089602866 |
| − | AVERAGEMASS 392.35824 | + | AVERAGEMASS 392.35824 |
| − | SMILES c(c4)(ccc(c4)C(=C(O)3)Oc(c2C3=O)c(c(cc(O)2)O)Cc(c1)ccc(c1)O)O | + | SMILES c(c4)(ccc(c4)C(=C(O)3)Oc(c2C3=O)c(c(cc(O)2)O)Cc(c1)ccc(c1)O)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/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.4941 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4322 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9378 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3815 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3815 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9378 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7311 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7311 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 -1.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2872 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8542 -0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4212 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4212 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8542 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2872 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3109 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9378 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9880 1.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0502 0.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9378 0.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4939 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4939 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4902 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4902 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9880 1.8762 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
15 20 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FL5FAANC0001
KNApSAcK_ID C00005035
NAME 8-C-p-Hydroxybenzylkaempferol
CAS_RN 163399-33-5
FORMULA C22H16O7
EXACTMASS 392.089602866
AVERAGEMASS 392.35824
SMILES c(c4)(ccc(c4)C(=C(O)3)Oc(c2C3=O)c(c(cc(O)2)O)Cc(c1)ccc(c1)O)O
M END
