Mol:FL1C1ANI0030
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 |
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| − | -4.6441 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6441 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 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 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
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| − | 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 FL1C1ANI0030 | + | ID FL1C1ANI0030 |
| − | KNApSAcK_ID C00014455 | + | KNApSAcK_ID C00014455 |
| − | NAME Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone | + | NAME Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone |
| − | CAS_RN 161099-60-1 | + | CAS_RN 161099-60-1 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES Oc(c2CC(C(C)=C)O)ccc(c2O)C(C=Cc(c1)cc(c(O)c1)CC=C(C)C)=O | + | SMILES Oc(c2CC(C(C)=C)O)ccc(c2O)C(C=Cc(c1)cc(c(O)c1)CC=C(C)C)=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
-1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9296 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.8563 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
2 7 1 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
5 15 1 0 0 0 0
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15 17 1 0 0 0 0
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18 19 1 0 0 0 0
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20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
22 25 1 0 0 0 0
21 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 FL1C1ANI0030
KNApSAcK_ID C00014455
NAME Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone
CAS_RN 161099-60-1
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES Oc(c2CC(C(C)=C)O)ccc(c2O)C(C=Cc(c1)cc(c(O)c1)CC=C(C)C)=O
M END
