Mol:FL2FAANI0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4070 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4070 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4070 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4070 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8507 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8507 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2944 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2944 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2944 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2944 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8507 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8507 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2619 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2619 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8182 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8182 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8182 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8182 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2619 -0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2619 -0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3743 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3743 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9413 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9413 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5083 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5083 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5083 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5083 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9413 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9413 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3743 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3743 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2619 -2.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2619 -2.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8507 -2.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8507 -2.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9631 -0.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9631 -0.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0751 0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0751 0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.0751 2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0751 2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 2.8898 0.0000 C 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 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 2 0 0 0 0 | + | 22 23 2 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0012 | + | ID FL2FAANI0012 |
| − | KNApSAcK_ID C00008274 | + | KNApSAcK_ID C00008274 |
| − | NAME Sophoraflavanone A | + | NAME Sophoraflavanone A |
| − | CAS_RN 87893-18-3 | + | CAS_RN 87893-18-3 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES O=C(C2)c(c(OC2c(c3)ccc(c3)O)1)c(cc(O)c1CC=C(C)CCC=C(C)C)O | + | SMILES O=C(C2)c(c(OC2c(c3)ccc(c3)O)1)c(cc(O)c1CC=C(C)CCC=C(C)C)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/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.4070 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4070 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2619 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2619 -0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5083 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5083 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2619 -2.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -2.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9631 -0.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0751 0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0751 2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 2.8898 0.0000 C 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2FAANI0012
KNApSAcK_ID C00008274
NAME Sophoraflavanone A
CAS_RN 87893-18-3
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES O=C(C2)c(c(OC2c(c3)ccc(c3)O)1)c(cc(O)c1CC=C(C)CCC=C(C)C)O
M END
