Mol:FL2FACNI0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.9270 -0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9270 -0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9197 -1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9197 -1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1959 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1959 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4911 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4911 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4913 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4913 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2088 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2088 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7653 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7653 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0622 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0622 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0680 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0680 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7768 0.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7768 0.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3535 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3535 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3554 -0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3554 -0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0698 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0698 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0692 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0692 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3550 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3550 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3593 1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3593 1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7653 -2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7653 -2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6415 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6415 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1959 -2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1959 -2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7837 1.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7837 1.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3550 2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3550 2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4980 1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4980 1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2126 1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2126 1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9270 1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9270 1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9270 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9270 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6415 1.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6415 1.4548 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 |
| − | 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 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 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0012 | + | ID FL2FACNI0012 |
| − | KNApSAcK_ID C00014165 | + | KNApSAcK_ID C00014165 |
| − | NAME Monotesone A;5,7,3'-Trihydroxy-4'-O-prenylflavanone | + | NAME Monotesone A;5,7,3'-Trihydroxy-4'-O-prenylflavanone |
| − | CAS_RN 208596-55-8 | + | CAS_RN 208596-55-8 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c1)c(c(O)cc1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)OCC=C(C)C | + | SMILES c(c1)c(c(O)cc1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)OCC=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/
26 28 0 0 0 0 0 0 0 0999 V2000
-3.9270 -0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9197 -1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1959 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4913 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2088 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7653 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0622 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0680 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7768 0.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3535 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3554 -0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0698 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0692 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7653 -2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6415 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1959 -2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7837 1.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2126 1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9270 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6415 1.4548 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
20 14 1 0 0 0 0
15 21 1 0 0 0 0
20 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
S SKP 8
ID FL2FACNI0012
KNApSAcK_ID C00014165
NAME Monotesone A;5,7,3'-Trihydroxy-4'-O-prenylflavanone
CAS_RN 208596-55-8
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c1)c(c(O)cc1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)OCC=C(C)C
M END
