Mol:FL1B99NSH001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1445 -1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1445 -1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1445 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1445 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4300 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4300 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4300 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4300 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7156 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7156 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7156 -1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7156 -1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0014 -0.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0014 -0.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7141 -1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7141 -1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2975 -2.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2975 -2.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4295 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4295 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4295 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4295 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1445 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1445 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1443 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1443 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7154 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7154 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7156 0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7156 0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 2.4866 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 2.4866 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3922 -1.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3922 -1.4702 0.0000 O 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 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 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1B99NSH001 | + | ID FL1B99NSH001 |
| − | KNApSAcK_ID C00014662 | + | KNApSAcK_ID C00014662 |
| − | NAME 4'-Chloro-2-hydroxyaurone | + | NAME 4'-Chloro-2-hydroxyaurone |
| − | CAS_RN 329763-01-1 | + | CAS_RN 329763-01-1 |
| − | FORMULA C15H11ClO3 | + | FORMULA C15H11ClO3 |
| − | EXACTMASS 274.03967192799996 | + | EXACTMASS 274.03967192799996 |
| − | AVERAGEMASS 274.69874000000004 | + | AVERAGEMASS 274.69874000000004 |
| − | SMILES Clc(c3)ccc(c3)CC(O)(O1)C(=O)c(c2)c(ccc2)1 | + | SMILES Clc(c3)ccc(c3)CC(O)(O1)C(=O)c(c2)c(ccc2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.1445 -1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1445 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 -1.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 -0.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7141 -1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2975 -2.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1445 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7154 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 2.4866 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.3922 -1.4702 0.0000 O 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 1 0 0 0 0
11 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
15 18 1 0 0 0 0
8 19 1 0 0 0 0
S SKP 8
ID FL1B99NSH001
KNApSAcK_ID C00014662
NAME 4'-Chloro-2-hydroxyaurone
CAS_RN 329763-01-1
FORMULA C15H11ClO3
EXACTMASS 274.03967192799996
AVERAGEMASS 274.69874000000004
SMILES Clc(c3)ccc(c3)CC(O)(O1)C(=O)c(c2)c(ccc2)1
M END
