Mol:FL1CA9NS0001
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 |
| − | -1.9517 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9517 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2736 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2736 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8297 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8297 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3953 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3953 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5077 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5077 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2830 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2830 0.9592 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NS0001 | + | ID FL1CA9NS0001 |
| − | KNApSAcK_ID C00006933 | + | KNApSAcK_ID C00006933 |
| − | NAME 2',4',6'-Trihydroxychalcone | + | NAME 2',4',6'-Trihydroxychalcone |
| − | CAS_RN 4197-97-1 | + | CAS_RN 4197-97-1 |
| − | FORMULA C15H12O4 | + | FORMULA C15H12O4 |
| − | EXACTMASS 256.073558872 | + | EXACTMASS 256.073558872 |
| − | AVERAGEMASS 256.25338 | + | AVERAGEMASS 256.25338 |
| − | SMILES Oc(c1)cc(O)c(C(=O)C=Cc(c2)cccc2)c(O)1 | + | SMILES Oc(c1)cc(O)c(C(=O)C=Cc(c2)cccc2)c(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
-1.9517 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 0.9592 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
S SKP 8
ID FL1CA9NS0001
KNApSAcK_ID C00006933
NAME 2',4',6'-Trihydroxychalcone
CAS_RN 4197-97-1
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES Oc(c1)cc(O)c(C(=O)C=Cc(c2)cccc2)c(O)1
M END
