Mol:FL63CDNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 0.7049 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7049 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0095 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0095 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7201 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7201 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4307 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4307 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4307 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4307 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7201 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7201 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0095 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0095 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1413 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1413 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8519 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8519 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8519 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8519 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1413 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1413 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1413 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1413 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7049 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7049 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5664 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5664 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4298 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4298 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1547 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1547 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1547 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1547 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4298 1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4298 1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7049 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7049 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7413 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7413 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8519 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8519 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5664 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5664 0.6163 0.0000 C 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 |
| − | 1 15 2 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63CDNS0001 | + | ID FL63CDNS0001 |
| − | KNApSAcK_ID C00013259 | + | KNApSAcK_ID C00013259 |
| − | NAME Catechin-3'-methyl ether | + | NAME Catechin-3'-methyl ether |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C16H16O6 | + | FORMULA C16H16O6 |
| − | EXACTMASS 304.094688244 | + | EXACTMASS 304.094688244 |
| − | AVERAGEMASS 304.29463999999996 | + | AVERAGEMASS 304.29463999999996 |
| − | SMILES COc(c(O)3)cc(cc3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 | + | SMILES COc(c(O)3)cc(cc3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)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
0.7049 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0095 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0095 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5664 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1547 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1547 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7413 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8519 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 0.6163 0.0000 C 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
1 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 1 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL63CDNS0001
KNApSAcK_ID C00013259
NAME Catechin-3'-methyl ether
CAS_RN -
FORMULA C16H16O6
EXACTMASS 304.094688244
AVERAGEMASS 304.29463999999996
SMILES COc(c(O)3)cc(cc3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1
M END
