Mol:FLIC1LNP0005
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8963 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8963 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8963 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8963 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3400 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3400 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7837 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7837 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7837 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7837 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3400 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3400 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2274 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2274 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3289 -0.3535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3289 -0.3535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3289 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3289 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2274 0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2274 0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8850 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8850 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8850 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8850 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4798 -1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4798 -1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0746 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0746 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0746 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0746 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4798 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4798 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4524 0.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4524 0.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2908 -1.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2908 -1.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3400 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3400 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8963 1.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8963 1.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4524 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4524 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4524 1.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4524 1.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0260 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0260 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9406 -1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9406 -1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8067 -2.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8067 -2.3614 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 2.3115 -1.5676 | + | M SVB 1 27 2.3115 -1.5676 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNP0005 | + | ID FLIC1LNP0005 |
| − | KNApSAcK_ID C00009726 | + | KNApSAcK_ID C00009726 |
| − | NAME 4'-O-Methylglabridin | + | NAME 4'-O-Methylglabridin |
| − | CAS_RN 68978-09-6 | + | CAS_RN 68978-09-6 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES c(c(OC)1)c(c(C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)cc1)O | + | SMILES c(c(OC)1)c(c(C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)cc1)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/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.8963 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3400 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7837 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7837 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3400 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2274 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3289 -0.3535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3289 0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2274 0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 -1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0746 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0746 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4524 0.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2908 -1.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3400 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 1.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4524 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4524 1.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0260 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9406 -1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8067 -2.3614 0.0000 C 0 0 0 0 0 0 0 0 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
8 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
1 2 1 0 0 0 0
1 17 1 0 0 0 0
12 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 17 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.3115 -1.5676
S SKP 8
ID FLIC1LNP0005
KNApSAcK_ID C00009726
NAME 4'-O-Methylglabridin
CAS_RN 68978-09-6
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES c(c(OC)1)c(c(C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)cc1)O
M END
