Mol:FL3FAANS0002
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 |
| − | -0.9830 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9830 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9830 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9830 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4267 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4267 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1296 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1296 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1296 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1296 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4267 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4267 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6859 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6859 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2422 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2422 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2422 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2422 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6859 0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6859 0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6859 -1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6859 -1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3653 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3653 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9323 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9323 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9323 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9323 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3653 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3653 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5391 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5391 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4991 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4991 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4267 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4267 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3108 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3108 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3108 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3108 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9925 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9925 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9925 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9925 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4991 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4991 0.0057 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANS0002 | + | ID FL3FAANS0002 |
| − | KNApSAcK_ID C00004180 | + | KNApSAcK_ID C00004180 |
| − | NAME Apigenin 7-lactate | + | NAME Apigenin 7-lactate |
| − | CAS_RN 126462-89-3 | + | CAS_RN 126462-89-3 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(C(=C3)Oc(c2C(=O)3)cc(OC(=O)C(C)O)cc2O)(c1)ccc(O)c1 | + | SMILES c(C(=C3)Oc(c2C(=O)3)cc(OC(=O)C(C)O)cc2O)(c1)ccc(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
-0.9830 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9830 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1296 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1296 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6859 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2422 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2422 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6859 0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6859 -1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9323 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9323 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5391 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4991 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3108 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3108 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9925 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9925 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4991 0.0057 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
21 18 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL3FAANS0002
KNApSAcK_ID C00004180
NAME Apigenin 7-lactate
CAS_RN 126462-89-3
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(C(=C3)Oc(c2C(=O)3)cc(OC(=O)C(C)O)cc2O)(c1)ccc(O)c1
M END
