Mol:FL4DAANI0007
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 |
| − | 0.2625 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2625 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7834 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7834 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3043 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3043 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3043 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3043 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7834 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7834 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2625 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2625 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8252 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8252 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3460 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3460 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3460 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3460 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8252 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8252 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8252 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8252 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7834 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7834 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9301 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9301 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4520 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9739 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9739 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9739 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9739 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4520 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9301 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9301 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8821 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8821 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4955 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4955 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9079 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9079 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4271 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4271 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9079 -0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9079 -0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9451 0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9451 0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4619 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4619 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9787 0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9787 0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4955 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4955 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9787 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9787 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2399 0.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2399 0.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7659 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7659 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2599 0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2599 0.4025 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 |
| − | 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 21 2 0 0 0 0 | + | 31 21 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANI0007 | + | ID FL4DAANI0007 |
| − | KNApSAcK_ID C00008648 | + | KNApSAcK_ID C00008648 |
| − | NAME 3,5,4'-Trihydroxy-7-geranyloxyflavanone | + | NAME 3,5,4'-Trihydroxy-7-geranyloxyflavanone |
| − | CAS_RN 160036-21-5 | + | CAS_RN 160036-21-5 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c3)c(ccc3O)C(C(O)2)Oc(c1C2=O)cc(cc(O)1)OCC=C(CCC=C(C)C)C | + | SMILES c(c3)c(ccc3O)C(C(O)2)Oc(c1C2=O)cc(cc(O)1)OCC=C(CCC=C(C)C)C |
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
0.2625 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7834 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3043 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3043 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7834 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2625 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3460 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3460 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7834 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9301 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9739 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9739 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9301 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8821 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4955 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9079 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4271 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9079 -0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9451 0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4619 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9787 0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4955 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9787 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2399 0.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7659 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2599 0.4025 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
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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 1 0 0 0
16 20 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 21 2 0 0 0 0
S SKP 8
ID FL4DAANI0007
KNApSAcK_ID C00008648
NAME 3,5,4'-Trihydroxy-7-geranyloxyflavanone
CAS_RN 160036-21-5
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c3)c(ccc3O)C(C(O)2)Oc(c1C2=O)cc(cc(O)1)OCC=C(CCC=C(C)C)C
M END
