Mol:FL1C1ANP0011
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7691 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7691 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0916 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0916 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0916 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0916 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7691 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7691 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4466 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4466 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4466 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4466 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3613 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3613 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3431 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3431 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0627 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0627 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8570 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8570 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5346 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5346 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2123 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2123 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2123 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2123 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5346 1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5346 1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8570 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8570 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8899 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8899 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5675 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5675 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5675 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5675 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8899 1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8899 1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8729 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8729 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0268 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0268 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3613 -1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3613 -1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9918 0.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9918 0.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7691 -1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7691 -1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0499 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0499 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7273 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7273 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7273 0.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7273 0.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4428 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4428 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4428 -1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4428 -1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0268 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0268 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 7 22 2 0 0 0 0 | + | 7 22 2 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 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 FL1C1ANP0011 | + | ID FL1C1ANP0011 |
| − | KNApSAcK_ID C00011137 | + | KNApSAcK_ID C00011137 |
| − | NAME Angusticornin A;3,4-(2,2-Dimethylpyrano)-3'-(2-hydroxy-3-methylbut-3-enyl)-2',4'-dihydroxychalcone | + | NAME Angusticornin A;3,4-(2,2-Dimethylpyrano)-3'-(2-hydroxy-3-methylbut-3-enyl)-2',4'-dihydroxychalcone |
| − | CAS_RN 851771-47-6 | + | CAS_RN 851771-47-6 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES Oc(c3CC(C(C)=C)O)ccc(c3O)C(=O)C=Cc(c1)ccc(O2)c1C=CC2(C)C | + | SMILES Oc(c3CC(C(C)=C)O)ccc(c3O)C(=O)C=Cc(c1)ccc(O2)c1C=CC2(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/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.7691 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0916 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0916 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7691 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4466 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4466 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3613 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0627 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8570 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5346 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2123 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2123 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5346 1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8570 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5675 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5675 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8729 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0268 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3613 -1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9918 0.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7691 -1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0499 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7273 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7273 0.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4428 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4428 -1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0268 -0.1361 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
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
12 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 13 1 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
7 22 2 0 0 0 0
5 23 1 0 0 0 0
1 24 1 0 0 0 0
6 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 FL1C1ANP0011
KNApSAcK_ID C00011137
NAME Angusticornin A;3,4-(2,2-Dimethylpyrano)-3'-(2-hydroxy-3-methylbut-3-enyl)-2',4'-dihydroxychalcone
CAS_RN 851771-47-6
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES Oc(c3CC(C(C)=C)O)ccc(c3O)C(=O)C=Cc(c1)ccc(O2)c1C=CC2(C)C
M END
