Mol:FL2F1ANP0009
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1768 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1768 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1583 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1583 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3811 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3811 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7263 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7263 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7121 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7121 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4378 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4378 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9713 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9713 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2975 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2975 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3068 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3068 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9906 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9906 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4077 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4077 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0988 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0988 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8102 0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8102 0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8306 1.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8306 1.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1189 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1189 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3985 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3985 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9713 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9713 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4553 1.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4553 1.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4427 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4427 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1135 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1135 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8529 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8529 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8529 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8529 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5304 0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5304 0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4425 1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4425 1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2379 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2379 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9275 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9275 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9464 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9464 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5093 1.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5093 1.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5304 1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5304 1.0050 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 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 1 1 0 0 0 0 | + | 27 1 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANP0009 | + | ID FL2F1ANP0009 |
| − | KNApSAcK_ID C00014227 | + | KNApSAcK_ID C00014227 |
| − | NAME Shinflavanone;(2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone | + | NAME Shinflavanone;(2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| − | CAS_RN 157414-03-4 | + | CAS_RN 157414-03-4 |
| − | FORMULA C25H26O4 | + | FORMULA C25H26O4 |
| − | EXACTMASS 390.18310931999997 | + | EXACTMASS 390.18310931999997 |
| − | AVERAGEMASS 390.47153999999995 | + | AVERAGEMASS 390.47153999999995 |
| − | SMILES C(=CCc(c1O)cc(C(C4)Oc(c32)c(C4=O)ccc2OC(C=C3)(C)C)cc1)(C)C | + | SMILES C(=CCc(c1O)cc(C(C4)Oc(c32)c(C4=O)ccc2OC(C=C3)(C)C)cc1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-3.1768 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1583 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7263 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7121 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4378 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9713 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3068 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9906 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4077 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8102 0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 1.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1189 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3985 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9713 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4553 1.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1135 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8529 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8529 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5304 0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4425 1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2379 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9275 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9464 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5093 1.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5304 1.0050 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 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
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 1 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FL2F1ANP0009
KNApSAcK_ID C00014227
NAME Shinflavanone;(2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
CAS_RN 157414-03-4
FORMULA C25H26O4
EXACTMASS 390.18310931999997
AVERAGEMASS 390.47153999999995
SMILES C(=CCc(c1O)cc(C(C4)Oc(c32)c(C4=O)ccc2OC(C=C3)(C)C)cc1)(C)C
M END
