Mol:FLIAAANP0009
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0422 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0422 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0422 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0422 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9296 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9296 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9296 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9296 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3732 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3732 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1831 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1831 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1831 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1831 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3732 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3732 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7391 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7391 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7391 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7391 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3339 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3339 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9287 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9287 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9287 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9287 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3339 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3339 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3732 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3732 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5983 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5983 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5983 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1532 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1532 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1532 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1532 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7081 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7081 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1183 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1183 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1183 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1183 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5235 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5235 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1183 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1183 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7081 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7081 -0.1877 0.0000 C 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 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 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 15 1 0 0 0 0 | + | 28 15 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0009 | + | ID FLIAAANP0009 |
| − | KNApSAcK_ID C00009915 | + | KNApSAcK_ID C00009915 |
| − | NAME Isochandalone;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone | + | NAME Isochandalone;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone |
| − | CAS_RN 121747-90-8 | + | CAS_RN 121747-90-8 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES c(O2)(c(C(C(c(c4)cc(C=3)c(c4)OC(C3)(C)C)=C2)=O)1)cc(c(CC=C(C)C)c1O)O | + | SMILES c(O2)(c(C(C(c(c4)cc(C=3)c(c4)OC(C3)(C)C)=C2)=O)1)cc(c(CC=C(C)C)c1O)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.0422 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9296 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9296 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7391 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7391 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3339 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9287 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9287 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3339 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7081 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5235 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7081 -0.1877 0.0000 C 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 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
21 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 15 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
S SKP 8
ID FLIAAANP0009
KNApSAcK_ID C00009915
NAME Isochandalone;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone
CAS_RN 121747-90-8
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(O2)(c(C(C(c(c4)cc(C=3)c(c4)OC(C3)(C)C)=C2)=O)1)cc(c(CC=C(C)C)c1O)O
M END
