Mol:FL2FFANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4986 -1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4986 -1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4928 -1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4928 -1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7710 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7710 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0642 -1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0642 -1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0644 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0644 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7819 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7819 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3407 -2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3407 -2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3647 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3647 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3601 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3601 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3500 -0.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3500 -0.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0746 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0746 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7846 -0.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7846 -0.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4990 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4990 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4986 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4986 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7843 0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7843 0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0699 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0699 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3407 -3.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3407 -3.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2130 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2130 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7710 -3.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7710 -3.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2130 0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2130 0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7656 1.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7656 1.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0501 1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0501 1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0501 2.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0501 2.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3353 3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3353 3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7643 3.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7643 3.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7819 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7819 0.1514 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 |
| − | 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 |
| − | 20 14 1 0 0 0 0 | + | 20 14 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 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FFANI0001 | + | ID FL2FFANI0001 |
| − | KNApSAcK_ID C00014163 | + | KNApSAcK_ID C00014163 |
| − | NAME Flowerone;5,7,8,4'-Tetrahydroxy-3'-prenylflavanone | + | NAME Flowerone;5,7,8,4'-Tetrahydroxy-3'-prenylflavanone |
| − | CAS_RN 642066-47-5 | + | CAS_RN 642066-47-5 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES C(=O)(C2)c(c1OC(c(c3)cc(c(O)c3)CC=C(C)C)2)c(cc(c(O)1)O)O | + | SMILES C(=O)(C2)c(c1OC(c(c3)cc(c(O)c3)CC=C(C)C)2)c(cc(c(O)1)O)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4986 -1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4928 -1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0642 -1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0644 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7819 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3407 -2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3647 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3601 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3500 -0.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7846 -0.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4990 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4986 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0699 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3407 -3.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2130 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 -3.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2130 0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7656 1.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0501 1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0501 2.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3353 3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7643 3.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7819 0.1514 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
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
20 14 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
23 25 1 0 0 0 0
15 21 1 0 0 0 0
6 26 1 0 0 0 0
S SKP 8
ID FL2FFANI0001
KNApSAcK_ID C00014163
NAME Flowerone;5,7,8,4'-Tetrahydroxy-3'-prenylflavanone
CAS_RN 642066-47-5
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES C(=O)(C2)c(c1OC(c(c3)cc(c(O)c3)CC=C(C)C)2)c(cc(c(O)1)O)O
M END
