Mol:FL1C9CNS0001
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 |
| − | -2.5101 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5101 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2849 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2849 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2712 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2712 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 -0.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 -0.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 -0.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 -0.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 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 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 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C9CNS0001 | + | ID FL1C9CNS0001 |
| − | KNApSAcK_ID C00006924 | + | KNApSAcK_ID C00006924 |
| − | NAME 3,4,2'-Trihydroxychalcone | + | NAME 3,4,2'-Trihydroxychalcone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C15H12O4 | + | FORMULA C15H12O4 |
| − | EXACTMASS 256.073558872 | + | EXACTMASS 256.073558872 |
| − | AVERAGEMASS 256.25338 | + | AVERAGEMASS 256.25338 |
| − | SMILES Oc(c2)c(O)cc(c2)C=CC(=O)c(c1)c(O)ccc1 | + | SMILES Oc(c2)c(O)cc(c2)C=CC(=O)c(c1)c(O)ccc1 |
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
-2.5101 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2849 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2712 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 -0.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 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 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
S SKP 8
ID FL1C9CNS0001
KNApSAcK_ID C00006924
NAME 3,4,2'-Trihydroxychalcone
CAS_RN -
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES Oc(c2)c(O)cc(c2)C=CC(=O)c(c1)c(O)ccc1
M END
