Mol:FL63AANS0001
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 |
| − | -1.7719 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7719 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2720 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2720 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2720 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2720 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8694 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8694 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7076 -0.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7076 -0.9232 0.0000 H 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 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 |
| − | 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 8 22 1 6 0 0 0 | + | 8 22 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AANS0001 | + | ID FL63AANS0001 |
| − | KNApSAcK_ID C00000937 | + | KNApSAcK_ID C00000937 |
| − | NAME Afzelechin | + | NAME Afzelechin |
| − | CAS_RN 2545-00-8 | + | CAS_RN 2545-00-8 |
| − | FORMULA C15H14O5 | + | FORMULA C15H14O5 |
| − | EXACTMASS 274.084123558 | + | EXACTMASS 274.084123558 |
| − | AVERAGEMASS 274.26866 | + | AVERAGEMASS 274.26866 |
| − | SMILES Oc(c3)ccc(c3)C([H])(O1)C([H])(O)Cc(c(O)2)c(cc(O)c2)1 | + | SMILES Oc(c3)ccc(c3)C([H])(O1)C([H])(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
-1.7719 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8694 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7076 -0.9232 0.0000 H 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 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 1 1 0 0 0
8 22 1 6 0 0 0
S SKP 8
ID FL63AANS0001
KNApSAcK_ID C00000937
NAME Afzelechin
CAS_RN 2545-00-8
FORMULA C15H14O5
EXACTMASS 274.084123558
AVERAGEMASS 274.26866
SMILES Oc(c3)ccc(c3)C([H])(O1)C([H])(O)Cc(c(O)2)c(cc(O)c2)1
M END
