Mol:FL1C1CNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0108 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7037 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7037 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4181 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4181 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4181 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4181 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7037 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7037 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1326 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1326 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1326 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1326 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8471 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8471 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8471 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8471 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5616 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5616 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2759 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2759 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9933 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9933 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0121 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0121 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3009 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3009 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5802 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5802 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7266 1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7266 1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7037 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7037 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7253 0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7253 0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7078 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7078 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7253 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7253 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4397 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4397 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1542 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1542 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1542 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1542 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8687 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8687 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5831 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5831 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2976 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2976 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0121 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0121 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0121 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0121 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7266 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7266 -0.6078 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 |
| − | 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1CNI0001 | + | ID FL1C1CNI0001 |
| − | KNApSAcK_ID C00014484 | + | KNApSAcK_ID C00014484 |
| − | NAME 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone | + | NAME 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone |
| − | CAS_RN 307002-70-6 | + | CAS_RN 307002-70-6 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES CC(C)=CCCC(C)=CCc(c(O)1)c(c(C(=O)C=Cc(c2)cc(O)c(c2)O)cc1)O | + | SMILES CC(C)=CCCC(C)=CCc(c(O)1)c(c(C(=O)C=Cc(c2)cc(O)c(c2)O)cc1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
-0.0108 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7037 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4181 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4181 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7037 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1326 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1326 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8471 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8471 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5616 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2759 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9933 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0121 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3009 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5802 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7266 1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7037 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7253 0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7078 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7253 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4397 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1542 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1542 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8687 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5831 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2976 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0121 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0121 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7266 -0.6078 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
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
14 17 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1C1CNI0001
KNApSAcK_ID C00014484
NAME 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone
CAS_RN 307002-70-6
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES CC(C)=CCCC(C)=CCc(c(O)1)c(c(C(=O)C=Cc(c2)cc(O)c(c2)O)cc1)O
M END
