Mol:FL2FADNI0005
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 |
| − | -2.1521 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1521 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1361 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1361 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3761 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3761 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6981 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6981 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6983 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6983 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4312 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4312 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0514 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0514 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7308 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7308 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7131 -0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7131 -0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0162 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0162 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4275 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4275 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1327 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1327 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8389 0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8389 0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8387 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8387 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1231 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1231 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4098 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4098 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0514 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0514 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8665 -0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8665 -0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3761 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3761 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5531 1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5531 1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4312 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4312 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1457 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1457 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1457 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1457 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4312 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4312 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8601 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8601 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5949 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5949 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2719 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2719 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9050 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9050 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5739 -1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5739 -1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2719 -1.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2719 -1.7286 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 |
| − | 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 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 |
| − | 21 6 1 0 0 0 0 | + | 21 6 1 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 2 28 1 0 0 0 0 | + | 2 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNI0005 | + | ID FL2FADNI0005 |
| − | KNApSAcK_ID C00014171 | + | KNApSAcK_ID C00014171 |
| − | NAME Laxiflorin;5,7,4'-Trihydroxy-3'-methoxy-6-(beta-hydroxyethyl)-8-prenylflavanone | + | NAME Laxiflorin;5,7,4'-Trihydroxy-3'-methoxy-6-(beta-hydroxyethyl)-8-prenylflavanone |
| − | CAS_RN 180680-91-5 | + | CAS_RN 180680-91-5 |
| − | FORMULA C23H26O7 | + | FORMULA C23H26O7 |
| − | EXACTMASS 414.167853186 | + | EXACTMASS 414.167853186 |
| − | AVERAGEMASS 414.44834000000003 | + | AVERAGEMASS 414.44834000000003 |
| − | SMILES c(c23)(c(c(CCO)c(c3CC=C(C)C)O)O)C(=O)CC(O2)c(c1)cc(c(c1)O)OC | + | SMILES c(c23)(c(c(CCO)c(c3CC=C(C)C)O)O)C(=O)CC(O2)c(c1)cc(c(c1)O)OC |
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
-2.1521 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1361 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3761 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6983 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4312 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0514 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7308 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7131 -0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4275 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1327 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8389 0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8387 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1231 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4098 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0514 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8665 -0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3761 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5531 1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4312 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1457 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1457 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4312 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8601 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5949 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2719 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9050 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5739 -1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2719 -1.7286 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
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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 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
21 6 1 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
2 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
S SKP 8
ID FL2FADNI0005
KNApSAcK_ID C00014171
NAME Laxiflorin;5,7,4'-Trihydroxy-3'-methoxy-6-(beta-hydroxyethyl)-8-prenylflavanone
CAS_RN 180680-91-5
FORMULA C23H26O7
EXACTMASS 414.167853186
AVERAGEMASS 414.44834000000003
SMILES c(c23)(c(c(CCO)c(c3CC=C(C)C)O)O)C(=O)CC(O2)c(c1)cc(c(c1)O)OC
M END
