Mol:FL1C1ANI0032
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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| − | -1.7862 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.3572 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.3572 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.3572 -0.6188 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 |
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| − | 2.5006 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.2151 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.9296 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6441 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6441 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
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| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
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| − | 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 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 |
| − | 17 25 1 0 0 0 0 | + | 17 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 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 FL1C1ANI0032 | + | ID FL1C1ANI0032 |
| − | KNApSAcK_ID C00014457 | + | KNApSAcK_ID C00014457 |
| − | NAME Anthyllin;5-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone | + | NAME Anthyllin;5-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone |
| − | CAS_RN 178734-44-6 | + | CAS_RN 178734-44-6 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c2)(ccc(c2O)C(=O)C=Cc(c1)cc(c(O)c(CC=C(C)C)1)CC(O)C(C)=C)O | + | SMILES c(c2)(ccc(c2O)C(=O)C=Cc(c1)cc(c(O)c(CC=C(C)C)1)CC(O)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
-3.9296 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.2063 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
-2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.0312 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 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3572 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0717 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.0312 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 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 0.6188 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
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
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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
15 20 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
17 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1C1ANI0032
KNApSAcK_ID C00014457
NAME Anthyllin;5-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone
CAS_RN 178734-44-6
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c2)(ccc(c2O)C(=O)C=Cc(c1)cc(c(O)c(CC=C(C)C)1)CC(O)C(C)=C)O
M END
