Mol:FL1CRTNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -2.4750 0.0000 C 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CRTNI0004 | + | ID FL1CRTNI0004 |
| − | KNApSAcK_ID C00014487 | + | KNApSAcK_ID C00014487 |
| − | NAME Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone | + | NAME Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone |
| − | CAS_RN 325144-68-1 | + | CAS_RN 325144-68-1 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES c(OC)(c(C=CC(=O)c(c2)ccc(c2O)O)1)c(c(O)cc1)CC=C(C)C | + | SMILES c(OC)(c(C=CC(=O)c(c2)ccc(c2O)O)1)c(c(O)cc1)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
-2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.4750 0.0000 C 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
3 7 1 0 0 0 0
2 8 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL1CRTNI0004
KNApSAcK_ID C00014487
NAME Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone
CAS_RN 325144-68-1
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES c(OC)(c(C=CC(=O)c(c2)ccc(c2O)O)1)c(c(O)cc1)CC=C(C)C
M END
