Mol:FL1C9ANS0003
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 20 0 0 0 0 0 0 0 0999 V2000 | + | 19 20 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 1.2375 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 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C9ANS0003 | + | ID FL1C9ANS0003 |
| − | KNApSAcK_ID C00014420 | + | KNApSAcK_ID C00014420 |
| − | NAME 4,2',5'-Trihydroxychalcone | + | NAME 4,2',5'-Trihydroxychalcone |
| − | CAS_RN 193746-17-7 | + | CAS_RN 193746-17-7 |
| − | FORMULA C15H12O4 | + | FORMULA C15H12O4 |
| − | EXACTMASS 256.073558872 | + | EXACTMASS 256.073558872 |
| − | AVERAGEMASS 256.25338 | + | AVERAGEMASS 256.25338 |
| − | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(O)ccc(O)1 | + | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(O)ccc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 0 0 0 0 0 0999 V2000
-2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.2375 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 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 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 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
5 17 1 0 0 0 0
2 18 1 0 0 0 0
14 19 1 0 0 0 0
S SKP 8
ID FL1C9ANS0003
KNApSAcK_ID C00014420
NAME 4,2',5'-Trihydroxychalcone
CAS_RN 193746-17-7
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(O)ccc(O)1
M END
