Mol:FL2FABNI0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.4284 -0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4284 -0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.0167 0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0167 0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3531 -3.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3531 -3.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2731 -0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2731 -0.8163 0.0000 O 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 |
| − | 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
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| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
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| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 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 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNI0009 | + | ID FL2FABNI0009 |
| − | KNApSAcK_ID C00014200 | + | KNApSAcK_ID C00014200 |
| − | NAME Burttinone;5,7-Dihydroxy-4'-methoxy-3'-prenyl-5'-[(3-methyl-2-butenyl)phenyl]flavanone | + | NAME Burttinone;5,7-Dihydroxy-4'-methoxy-3'-prenyl-5'-[(3-methyl-2-butenyl)phenyl]flavanone |
| − | CAS_RN 213819-43-3 | + | CAS_RN 213819-43-3 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES c(c1)(C(C3)Oc(c(C3=O)2)cc(O)cc2O)cc(CC=C(C)C)c(OC)c1C=CC(C)(C)O | + | SMILES c(c1)(C(C3)Oc(c(C3=O)2)cc(O)cc2O)cc(CC=C(C)C)c(OC)c1C=CC(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/
32 34 0 0 0 0 0 0 0 0999 V2000
-3.5586 -1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5401 -2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7629 -2.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1081 -2.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0939 -1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 -2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6793 -2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6885 -1.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3724 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0259 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7170 -1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4284 -0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4488 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7371 0.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0167 0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 -3.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2731 -0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7629 -3.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0719 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7042 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1297 -1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8442 -0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5586 -1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5586 -1.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2731 -0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7371 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4516 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4516 2.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6391 2.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1694 3.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1660 2.9052 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FL2FABNI0009
KNApSAcK_ID C00014200
NAME Burttinone;5,7-Dihydroxy-4'-methoxy-3'-prenyl-5'-[(3-methyl-2-butenyl)phenyl]flavanone
CAS_RN 213819-43-3
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES c(c1)(C(C3)Oc(c(C3=O)2)cc(O)cc2O)cc(CC=C(C)C)c(OC)c1C=CC(C)(C)O
M END
