Mol:FL2F19NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8484 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8484 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2642 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2642 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2642 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2642 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3768 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3768 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3768 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3768 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9329 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9329 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4999 -0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4999 -0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0668 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0668 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0668 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0668 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4999 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4999 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9329 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9329 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8367 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8367 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4045 0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4045 0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4045 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4045 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9594 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9594 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0668 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0668 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8367 1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8367 1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3809 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3809 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2926 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2926 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 19 26 2 0 0 0 0 | + | 19 26 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F19NI0002 | + | ID FL2F19NI0002 |
| − | KNApSAcK_ID C00008135 | + | KNApSAcK_ID C00008135 |
| − | NAME Ovaliflavanone A | + | NAME Ovaliflavanone A |
| − | CAS_RN 59920-27-3 | + | CAS_RN 59920-27-3 |
| − | FORMULA C25H28O3 | + | FORMULA C25H28O3 |
| − | EXACTMASS 376.203844762 | + | EXACTMASS 376.203844762 |
| − | AVERAGEMASS 376.48802 | + | AVERAGEMASS 376.48802 |
| − | SMILES c(CC=C(C)C)(c3O)cc(c2c3CC=C(C)C)C(=O)CC(O2)c(c1)cccc1 | + | SMILES c(CC=C(C)C)(c3O)cc(c2c3CC=C(C)C)C(=O)CC(O2)c(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-0.8484 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 -0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4999 -0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4999 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8367 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9594 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0668 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8367 1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3809 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2926 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 0 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
19 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FL2F19NI0002
KNApSAcK_ID C00008135
NAME Ovaliflavanone A
CAS_RN 59920-27-3
FORMULA C25H28O3
EXACTMASS 376.203844762
AVERAGEMASS 376.48802
SMILES c(CC=C(C)C)(c3O)cc(c2c3CC=C(C)C)C(=O)CC(O2)c(c1)cccc1
M END
