Mol:FL1CAANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3281 0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3281 0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3281 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3281 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8844 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8844 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4407 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4407 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4407 0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4407 0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8844 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8844 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0712 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0712 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6275 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6275 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5151 -0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5151 -0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0459 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0459 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5151 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5151 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0459 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0459 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5985 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5985 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1511 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1511 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5985 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5985 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5985 -0.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5985 -0.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9970 0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9970 0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4917 0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4917 0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3430 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3430 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8944 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8944 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4457 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4457 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9970 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9970 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4457 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4457 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7037 0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7037 0.9497 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 |
| − | 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 5 1 0 0 0 0 | + | 18 5 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CAANI0001 | + | ID FL1CAANI0001 |
| − | KNApSAcK_ID C00007101 | + | KNApSAcK_ID C00007101 |
| − | NAME 4,2',6'-Trihydroxy-4'-prenyloxychalcone | + | NAME 4,2',6'-Trihydroxy-4'-prenyloxychalcone |
| − | CAS_RN 94393-11-0 | + | CAS_RN 94393-11-0 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES Oc(c2)ccc(c2)C=CC(c(c1O)c(cc(c1)OCC=C(C)C)O)=O | + | SMILES Oc(c2)ccc(c2)C=CC(c(c1O)c(cc(c1)OCC=C(C)C)O)=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/
25 26 0 0 0 0 0 0 0 0999 V2000
2.3281 0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3281 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8844 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4407 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4407 0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8844 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0712 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6275 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 -0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5985 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5985 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5985 -0.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9970 0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4917 0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3430 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8944 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4457 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9970 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4457 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 0.9497 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 5 1 0 0 0 0
12 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
20 25 1 0 0 0 0
S SKP 8
ID FL1CAANI0001
KNApSAcK_ID C00007101
NAME 4,2',6'-Trihydroxy-4'-prenyloxychalcone
CAS_RN 94393-11-0
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES Oc(c2)ccc(c2)C=CC(c(c1O)c(cc(c1)OCC=C(C)C)O)=O
M END
