Mol:FL63ACCS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5735 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5735 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5735 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5735 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2880 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2880 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0024 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0024 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0024 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0024 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2880 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2880 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1410 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1410 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8555 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8555 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8555 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8555 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1410 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1410 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5699 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5699 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2424 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2424 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9148 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9148 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9148 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9148 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2424 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2424 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5699 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5699 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7169 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7169 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6470 -1.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6470 -1.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2880 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2880 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5532 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5532 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5595 -0.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5595 -0.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2990 1.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2990 1.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8906 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8906 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0913 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0913 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2994 1.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2994 1.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7077 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7077 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5071 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5071 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6639 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6639 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0611 2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0611 2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5595 2.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5595 2.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4869 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4869 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5927 0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5927 0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7524 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7524 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 8 18 1 6 0 0 0 | + | 8 18 1 6 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 33 1 6 0 0 0 | + | 25 33 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACCS0005 | + | ID FL63ACCS0005 |
| − | KNApSAcK_ID C00013256 | + | KNApSAcK_ID C00013256 |
| − | NAME Epicatechin 8-C-beta-D-galactoside | + | NAME Epicatechin 8-C-beta-D-galactoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H24O11 | + | FORMULA C21H24O11 |
| − | EXACTMASS 452.13186161 | + | EXACTMASS 452.13186161 |
| − | AVERAGEMASS 452.40866 | + | AVERAGEMASS 452.40866 |
| − | SMILES OCC(O1)C(C(O)C(C([H])1c(c2O)c(O3)c(CC(O)C(c(c4)cc(c(O)c4)O)3)c(O)c2)O)O | + | SMILES OCC(O1)C(C(O)C(C([H])1c(c2O)c(O3)c(CC(O)C(c(c4)cc(c(O)c4)O)3)c(O)c2)O)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/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.5735 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5735 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2880 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0024 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0024 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2880 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5699 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2424 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9148 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9148 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2424 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5699 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7169 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6470 -1.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2880 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5595 -0.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2990 1.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0913 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2994 1.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7077 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5071 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6639 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0611 2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 2.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4869 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5927 0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7524 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
1 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 2 1 0 0 0 0
9 11 1 6 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
4 17 1 0 0 0 0
8 18 1 6 0 0 0
14 20 1 0 0 0 0
6 19 1 0 0 0 0
13 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
3 25 1 0 0 0 0
25 33 1 6 0 0 0
S SKP 8
ID FL63ACCS0005
KNApSAcK_ID C00013256
NAME Epicatechin 8-C-beta-D-galactoside
CAS_RN -
FORMULA C21H24O11
EXACTMASS 452.13186161
AVERAGEMASS 452.40866
SMILES OCC(O1)C(C(O)C(C([H])1c(c2O)c(O3)c(CC(O)C(c(c4)cc(c(O)c4)O)3)c(O)c2)O)O
M END
