Mol:FLIAAANP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5748 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5748 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5748 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5748 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0185 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0185 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4622 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4622 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4622 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4622 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0185 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0185 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9059 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9059 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3496 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3496 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3496 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3496 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9059 1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9059 1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2065 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2065 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2065 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2065 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8012 -0.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8012 -0.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3960 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3960 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3960 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3960 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8012 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8012 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9059 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9059 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1309 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1309 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9908 -0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9908 -0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9902 0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9902 0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5856 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5856 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5856 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5856 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5856 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5856 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1309 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1309 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0185 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0185 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 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 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 2 0 0 0 0 | + | 22 20 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0007 | + | ID FLIAAANP0007 |
| − | KNApSAcK_ID C00009873 | + | KNApSAcK_ID C00009873 |
| − | NAME Isoderrone;5,7-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone | + | NAME Isoderrone;5,7-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone |
| − | CAS_RN 121747-89-5 | + | CAS_RN 121747-89-5 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(c12)(ccc(C(C(=O)3)=COc(c4)c3c(cc(O)4)O)c2)OC(C=C1)(C)C | + | SMILES c(c12)(ccc(C(C(=O)3)=COc(c4)c3c(cc(O)4)O)c2)OC(C=C1)(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/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.5748 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5748 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0185 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0185 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9059 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3496 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3496 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9059 1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2065 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2065 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8012 -0.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3960 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3960 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8012 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9059 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1309 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9908 -0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5856 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5856 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5856 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1309 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0185 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
19 14 1 0 0 0 0
15 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 2 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
3 25 1 0 0 0 0
S SKP 8
ID FLIAAANP0007
KNApSAcK_ID C00009873
NAME Isoderrone;5,7-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone
CAS_RN 121747-89-5
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(c12)(ccc(C(C(=O)3)=COc(c4)c3c(cc(O)4)O)c2)OC(C=C1)(C)C
M END
