Mol:FL5F2CNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -2.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -2.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2515 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2515 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2515 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2515 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3141 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3141 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3141 2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3141 2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8797 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8797 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F2CNI0001 | + | ID FL5F2CNI0001 |
| − | KNApSAcK_ID C00005117 | + | KNApSAcK_ID C00005117 |
| − | NAME Neouralenol;2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one | + | NAME Neouralenol;2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 139163-16-9 | + | CAS_RN 139163-16-9 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES c(c1)c(O)c(c(CC=C(C)C)c1C(=C3O)Oc(c2)c(C3=O)cc(O)c(O)2)O | + | SMILES c(c1)c(O)c(c(CC=C(C)C)c1C(=C3O)Oc(c2)c(C3=O)cc(O)c(O)2)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2515 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2515 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8797 1.2204 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
2 22 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL5F2CNI0001
KNApSAcK_ID C00005117
NAME Neouralenol;2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one
CAS_RN 139163-16-9
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(c1)c(O)c(c(CC=C(C)C)c1C(=C3O)Oc(c2)c(C3=O)cc(O)c(O)2)O
M END
