Mol:FL2FALNI0031
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.4788 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4788 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0327 -0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 -0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.2919 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3819 -1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3819 -1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3112 0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3112 0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0872 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0872 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7782 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7782 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4896 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4896 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0779 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0779 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2919 -2.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -2.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2119 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2119 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 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 |
| − | 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 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
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| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0031 | + | ID FL2FALNI0031 |
| − | KNApSAcK_ID C00014170 | + | KNApSAcK_ID C00014170 |
| − | NAME Kushenol W;5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone | + | NAME Kushenol W;5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone |
| − | CAS_RN 254886-76-5 | + | CAS_RN 254886-76-5 |
| − | FORMULA C21H22O7 | + | FORMULA C21H22O7 |
| − | EXACTMASS 386.136553058 | + | EXACTMASS 386.136553058 |
| − | AVERAGEMASS 386.39518 | + | AVERAGEMASS 386.39518 |
| − | SMILES O(C(c(c3)c(cc(O)c3OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O | + | SMILES O(C(c(c3)c(cc(O)c3OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)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/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.4974 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4788 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 -0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3819 -1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3112 0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7782 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4896 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -2.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2119 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -2.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2119 1.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5044 2.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7782 -1.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5282 1.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5282 2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8775 2.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0788 2.3346 0.0000 C 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 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
12 24 1 0 0 0 0
21 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FL2FALNI0031
KNApSAcK_ID C00014170
NAME Kushenol W;5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone
CAS_RN 254886-76-5
FORMULA C21H22O7
EXACTMASS 386.136553058
AVERAGEMASS 386.39518
SMILES O(C(c(c3)c(cc(O)c3OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O
M END
