Mol:FL2FA8NI0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0871 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0871 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0685 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0685 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2914 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2914 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3635 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3635 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3777 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3777 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3480 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3480 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1184 -1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1184 -1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7922 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7922 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7830 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7830 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0991 -0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0991 -0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4975 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4975 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1885 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1885 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8999 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8999 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9204 0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9204 0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2086 1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2086 1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4882 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4882 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1184 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1184 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8016 -0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8016 -0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2914 -2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2914 -2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3480 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3480 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0625 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0625 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0625 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0625 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7770 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7770 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3480 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3480 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1885 -1.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1885 -1.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7770 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7770 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4914 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4914 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2059 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2059 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6756 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6756 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9204 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9204 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7362 0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7362 0.2529 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 12 25 1 0 0 0 0 | + | 12 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 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NI0008 | + | ID FL2FA8NI0008 |
| − | KNApSAcK_ID C00014199 | + | KNApSAcK_ID C00014199 |
| − | NAME Kushenol T;(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone | + | NAME Kushenol T;(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone |
| − | CAS_RN 254886-73-2 | + | CAS_RN 254886-73-2 |
| − | FORMULA C25H30O6 | + | FORMULA C25H30O6 |
| − | EXACTMASS 426.204238692 | + | EXACTMASS 426.204238692 |
| − | AVERAGEMASS 426.5021 | + | AVERAGEMASS 426.5021 |
| − | SMILES c(c1O)c(c(C(=O)3)c(OC(C3)c(c2O)cccc2)c(CC(CCC(C)(C)O)C(C)=C)1)O | + | SMILES c(c1O)c(c(C(=O)3)c(OC(C3)c(c2O)cccc2)c(CC(CCC(C)(C)O)C(C)=C)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.0871 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0685 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2914 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3777 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3480 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7922 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7830 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0991 -0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4975 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1885 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8999 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9204 0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2086 1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4882 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8016 -0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2914 -2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3480 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0625 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0625 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7770 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3480 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1885 -1.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7770 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4914 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2059 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6756 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9204 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7362 0.2529 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
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
12 25 1 0 0 0 0
21 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL2FA8NI0008
KNApSAcK_ID C00014199
NAME Kushenol T;(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone
CAS_RN 254886-73-2
FORMULA C25H30O6
EXACTMASS 426.204238692
AVERAGEMASS 426.5021
SMILES c(c1O)c(c(C(=O)3)c(OC(C3)c(c2O)cccc2)c(CC(CCC(C)(C)O)C(C)=C)1)O
M END
