Mol:FL2FALNI0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3434 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3434 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8225 -2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8225 -2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8225 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8225 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3434 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3434 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 -2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 -2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7402 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7402 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7402 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7402 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 -0.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 -0.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2605 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2605 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 -2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 -2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7949 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7949 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3293 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3293 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3293 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3293 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7949 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7949 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2605 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2605 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8225 -2.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8225 -2.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8627 0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8627 0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8637 -0.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8637 -0.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8225 -0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8225 -0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3429 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3429 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3429 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3429 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8632 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8632 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7271 0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7271 0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8632 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8632 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3836 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3836 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3836 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3836 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8627 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8627 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8225 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8225 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8632 2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8632 2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7949 -1.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7949 -1.8255 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0013 | + | ID FL2FALNI0013 |
| − | KNApSAcK_ID C00008499 | + | KNApSAcK_ID C00008499 |
| − | NAME Sophoraflavanone E | + | NAME Sophoraflavanone E |
| − | CAS_RN 121927-94-4 | + | CAS_RN 121927-94-4 |
| − | FORMULA C25H28O7 | + | FORMULA C25H28O7 |
| − | EXACTMASS 440.18350325 | + | EXACTMASS 440.18350325 |
| − | AVERAGEMASS 440.48562000000004 | + | AVERAGEMASS 440.48562000000004 |
| − | SMILES CC(C)=CCCC(=CCc(c(O)1)c(O2)c(C(=O)CC(c(c3O)c(cc(c3)O)O)2)c(c1)O)C | + | SMILES CC(C)=CCCC(=CCc(c(O)1)c(O2)c(C(=O)CC(c(c3O)c(cc(c3)O)O)2)c(c1)O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.3434 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 -2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -0.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7949 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3293 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3293 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7949 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 -2.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8627 0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8637 -0.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 -0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8632 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8632 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3836 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3836 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8627 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8632 2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7949 -1.8255 0.0000 O 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
17 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
28 31 1 0 0 0 0
13 32 1 0 0 0 0
S SKP 8
ID FL2FALNI0013
KNApSAcK_ID C00008499
NAME Sophoraflavanone E
CAS_RN 121927-94-4
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES CC(C)=CCCC(=CCc(c(O)1)c(O2)c(C(=O)CC(c(c3O)c(cc(c3)O)O)2)c(c1)O)C
M END
