Mol:FL2FALNI0021
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 |
| − | -0.2780 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2780 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2429 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2429 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7638 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7638 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7638 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7638 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2429 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2429 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2780 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2780 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2847 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2847 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8056 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8056 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8056 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8056 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2847 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2847 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3259 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3259 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2847 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2847 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8603 0.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8603 0.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3946 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3946 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3946 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3946 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8603 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8603 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3259 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3259 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2429 -1.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2429 -1.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0988 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0988 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3074 -0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3074 -0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4027 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4027 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9010 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9010 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3814 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3814 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4223 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4223 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9115 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9115 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4203 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4203 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9281 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9281 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4203 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4203 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8603 -0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8603 -0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9281 1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9281 1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7925 1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7925 1.4711 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 19 6 1 0 0 0 0 | + | 19 6 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0021 | + | ID FL2FALNI0021 |
| − | KNApSAcK_ID C00008531 | + | KNApSAcK_ID C00008531 |
| − | NAME Exiguaflavanone C | + | NAME Exiguaflavanone C |
| − | CAS_RN 149725-16-6 | + | CAS_RN 149725-16-6 |
| − | FORMULA C25H28O7 | + | FORMULA C25H28O7 |
| − | EXACTMASS 440.18350325 | + | EXACTMASS 440.18350325 |
| − | AVERAGEMASS 440.48562000000004 | + | AVERAGEMASS 440.48562000000004 |
| − | SMILES CC(=C)C(CC=C(C)C)Cc(c3O)c(O)c(c(c3)2)C(CC(O2)c(c1O)c(cc(c1)O)O)=O | + | SMILES CC(=C)C(CC=C(C)C)Cc(c3O)c(O)c(c(c3)2)C(CC(O2)c(c1O)c(cc(c1)O)O)=O |
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
-0.2780 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8056 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8056 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3259 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8603 0.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3946 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3946 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8603 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3259 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 -1.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0988 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3074 -0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9010 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3814 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4223 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9115 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4203 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9281 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4203 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8603 -0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9281 1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7925 1.4711 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 6 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
19 6 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
13 30 1 0 0 0 0
15 31 1 0 0 0 0
17 32 1 0 0 0 0
S SKP 8
ID FL2FALNI0021
KNApSAcK_ID C00008531
NAME Exiguaflavanone C
CAS_RN 149725-16-6
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES CC(=C)C(CC=C(C)C)Cc(c3O)c(O)c(c(c3)2)C(CC(O2)c(c1O)c(cc(c1)O)O)=O
M END
