Mol:FL1C1ANI0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.0492 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0492 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.9664 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9664 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
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| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
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| − | 2 15 1 0 0 0 0 | + | 2 15 1 0 0 0 0 |
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| − | 16 18 2 0 0 0 0 | + | 16 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
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| − | 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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| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0021 | + | ID FL1C1ANI0021 |
| − | KNApSAcK_ID C00011138 | + | KNApSAcK_ID C00011138 |
| − | NAME Angusticornin B;3,5'-di-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone | + | NAME Angusticornin B;3,5'-di-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone |
| − | CAS_RN 851771-48-7 | + | CAS_RN 851771-48-7 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES C(O)(Cc(c1O)cc(C=CC(c(c(O)2)cc(CC(O)C(C)=C)c(c2)O)=O)cc1)C(C)=C | + | SMILES C(O)(Cc(c1O)cc(C=CC(c(c(O)2)cc(CC(O)C(C)=C)c(c2)O)=O)cc1)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/
31 32 0 0 0 0 0 0 0 0999 V2000
-3.0412 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3751 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3751 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7073 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7073 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2821 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4153 1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8084 0.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4153 1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9650 2.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8260 2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7271 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0492 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7271 -1.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3218 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9664 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6168 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6168 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9664 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1645 0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3183 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 -0.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2821 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 -2.0362 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
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4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
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2 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
16 18 2 0 0 0 0
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
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21 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
S SKP 8
ID FL1C1ANI0021
KNApSAcK_ID C00011138
NAME Angusticornin B;3,5'-di-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone
CAS_RN 851771-48-7
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES C(O)(Cc(c1O)cc(C=CC(c(c(O)2)cc(CC(O)C(C)=C)c(c2)O)=O)cc1)C(C)=C
M END
