Mol:FL63CCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4194 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4194 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7049 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7049 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0057 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0057 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7162 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7162 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7162 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7162 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0057 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0057 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7049 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7049 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4268 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4268 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1374 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1374 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1374 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1374 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4268 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4268 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4268 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4268 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4194 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4194 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8519 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8519 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5664 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5664 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1443 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1443 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8692 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8692 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8692 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8692 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1443 1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1443 1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4194 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4194 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4557 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4557 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5664 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5664 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 6 0 0 0 | + | 2 1 1 6 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 2 1 0 0 0 0 | + | 7 2 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 14 1 0 0 0 0 |
| − | 7 13 1 1 0 0 0 | + | 7 13 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 1 16 2 0 0 0 0 | + | 1 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63CCNS0001 | + | ID FL63CCNS0001 |
| − | KNApSAcK_ID C00013258 | + | KNApSAcK_ID C00013258 |
| − | NAME Catechin-7-methyl ether | + | NAME Catechin-7-methyl ether |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C16H16O6 | + | FORMULA C16H16O6 |
| − | EXACTMASS 304.094688244 | + | EXACTMASS 304.094688244 |
| − | AVERAGEMASS 304.29463999999996 | + | AVERAGEMASS 304.29463999999996 |
| − | SMILES COc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c3)c(O)1 | + | SMILES COc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c3)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
1.4194 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7162 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7162 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1374 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1374 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5664 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8692 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8692 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 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 7 1 0 0 0 0
7 2 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
11 12 1 0 0 0 0
9 14 1 0 0 0 0
7 13 1 1 0 0 0
14 15 1 0 0 0 0
1 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 1 1 0 0 0 0
18 21 1 0 0 0 0
17 22 1 0 0 0 0
S SKP 8
ID FL63CCNS0001
KNApSAcK_ID C00013258
NAME Catechin-7-methyl ether
CAS_RN -
FORMULA C16H16O6
EXACTMASS 304.094688244
AVERAGEMASS 304.29463999999996
SMILES COc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c3)c(O)1
M END
