Mol:FL4DACNS0002
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 |
| − | -1.8713 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8713 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3505 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3505 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8296 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8296 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8296 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8296 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3505 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3505 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8713 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8713 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3087 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3087 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2122 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2122 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2122 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2122 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3087 0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3087 0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3087 -1.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3087 -1.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3505 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3505 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3781 0.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3781 0.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6553 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6553 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7919 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7919 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3206 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3206 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8493 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8493 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8493 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8493 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3206 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3206 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7919 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7919 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1201 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1201 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1201 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1201 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6641 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6641 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3781 1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3781 1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3206 1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3206 1.9152 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 8 14 1 1 0 0 0 | + | 8 14 1 1 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNS0002 | + | ID FL4DACNS0002 |
| − | KNApSAcK_ID C00008743 | + | KNApSAcK_ID C00008743 |
| − | NAME Taxifolin 3-acetate | + | NAME Taxifolin 3-acetate |
| − | CAS_RN 78834-97-6 | + | CAS_RN 78834-97-6 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cc(O)c(O)c1 | + | SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cc(O)c(O)c1 |
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
-1.8713 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8296 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8296 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8713 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3087 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2122 -0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2122 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3087 0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3087 -1.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3781 0.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6553 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7919 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3206 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3206 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7919 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3781 1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3206 1.9152 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 1 0 0 0
9 15 1 6 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
S SKP 8
ID FL4DACNS0002
KNApSAcK_ID C00008743
NAME Taxifolin 3-acetate
CAS_RN 78834-97-6
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cc(O)c(O)c1
M END
