Mol:FL2FA9NI0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5152 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5152 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5152 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5152 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5143 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5143 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5143 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5143 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9867 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9867 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 0.3921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 0.3921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0154 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0154 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5147 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5147 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5147 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5147 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0145 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0145 1.7329 0.0000 C 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 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 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 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0001 | + | ID FL2FA9NI0001 |
| − | KNApSAcK_ID C00000965 | + | KNApSAcK_ID C00000965 |
| − | NAME Glabranin | + | NAME Glabranin |
| − | CAS_RN 41983-91-9 | + | CAS_RN 41983-91-9 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES C(c(c3)cccc3)(O2)([H])CC(=O)c(c21)c(cc(O)c1CC=C(C)C)O | + | SMILES C(c(c3)cccc3)(O2)([H])CC(=O)c(c21)c(cc(O)c1CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.5152 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5152 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5143 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5143 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 0.3921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0154 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5147 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5147 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0145 1.7329 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
7 20 2 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
S SKP 8
ID FL2FA9NI0001
KNApSAcK_ID C00000965
NAME Glabranin
CAS_RN 41983-91-9
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES C(c(c3)cccc3)(O2)([H])CC(=O)c(c21)c(cc(O)c1CC=C(C)C)O
M END
