Mol:FL1CPTNS0002
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 |
| − | -1.8662 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8662 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8662 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8662 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3482 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3482 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8302 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8302 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8302 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8302 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3482 0.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3482 0.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3122 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3122 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2046 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2046 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7497 -0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7497 -0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2949 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2949 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2949 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2949 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7497 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7497 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2046 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2046 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3842 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3842 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3482 -1.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3482 -1.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3122 -1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3122 -1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8400 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8400 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8400 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8400 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2949 1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2949 1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7497 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7497 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3842 1.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3842 1.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3842 0.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3842 0.1334 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 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 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 8 2 0 0 0 0 | + | 13 8 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 3 15 1 0 0 0 0 | + | 3 15 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 11 17 1 0 0 0 0 | + | 11 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 12 1 0 0 0 0 | + | 20 12 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CPTNS0002 | + | ID FL1CPTNS0002 |
| − | KNApSAcK_ID C00007180 | + | KNApSAcK_ID C00007180 |
| − | NAME Mopachalcone | + | NAME Mopachalcone |
| − | CAS_RN 38279-57-1 | + | CAS_RN 38279-57-1 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES Oc(c3)cc(O)c(c3)C(=O)C(O2)=Cc(c1)c(C2)c(O)c(O)c1 | + | SMILES Oc(c3)cc(O)c(c3)C(=O)C(O2)=Cc(c1)c(C2)c(O)c(O)c1 |
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
-1.8662 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8662 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 0.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 -0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 -1.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 -1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 1.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 0.1334 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 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 8 2 0 0 0 0
1 14 1 0 0 0 0
3 15 1 0 0 0 0
7 16 2 0 0 0 0
11 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 12 1 0 0 0 0
18 21 1 0 0 0 0
17 22 1 0 0 0 0
S SKP 8
ID FL1CPTNS0002
KNApSAcK_ID C00007180
NAME Mopachalcone
CAS_RN 38279-57-1
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c3)cc(O)c(c3)C(=O)C(O2)=Cc(c1)c(C2)c(O)c(O)c1
M END
