Mol:FL2FAANP0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.3898 -2.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3898 -2.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.7686 1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7686 1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 25 1 0 0 0 0 | + | 29 25 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0016 | + | ID FL2FAANP0016 |
| − | KNApSAcK_ID C00014249 | + | KNApSAcK_ID C00014249 |
| − | NAME 2''',3'''-Epoxylupinifolin;2'',3''-Epoxylupinifolin;(2S)-5,4'-Dihydroxy-8-(2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME 2''',3'''-Epoxylupinifolin;2'',3''-Epoxylupinifolin;(2S)-5,4'-Dihydroxy-8-(2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 193485-23-3 | + | CAS_RN 193485-23-3 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c53)(OC(C=C5)(C)C)c(CC(C(C)(C)4)O4)c(c(c3O)1)OC(c(c2)ccc(c2)O)CC(=O)1 | + | SMILES c(c53)(OC(C=C5)(C)C)c(CC(C(C)(C)4)O4)c(c(c3O)1)OC(c(c2)ccc(c2)O)CC(=O)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/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.8157 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 -1.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3509 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0766 0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 -1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0636 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0544 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3705 0.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4600 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1674 0.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1963 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4800 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7597 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 -2.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 -2.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7686 1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5211 0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2079 -0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4839 -1.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0766 1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7198 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7413 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7686 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1705 2.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6213 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2313 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1606 1.1014 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 6 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
14 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
21 26 1 0 0 0 0
21 27 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
29 25 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FAANP0016
KNApSAcK_ID C00014249
NAME 2''',3'''-Epoxylupinifolin;2'',3''-Epoxylupinifolin;(2S)-5,4'-Dihydroxy-8-(2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 193485-23-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c53)(OC(C=C5)(C)C)c(CC(C(C)(C)4)O4)c(c(c3O)1)OC(c(c2)ccc(c2)O)CC(=O)1
M END
