Mol:FL2FALNS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5089 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5089 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5089 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5089 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7944 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7944 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0800 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0800 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0800 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0800 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7944 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7944 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3655 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3655 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3490 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3490 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3490 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3490 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3655 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3655 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1075 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1075 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8219 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8219 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5364 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5364 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5364 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5364 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8219 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8219 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1075 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1075 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3655 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3655 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7944 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7944 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1700 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1700 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8166 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8166 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1659 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1659 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4659 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4659 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6856 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6856 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1664 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1664 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8166 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8166 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8219 -0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8219 -0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3863 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3863 -0.6812 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 |
| − | 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNS0008 | + | ID FL2FALNS0008 |
| − | KNApSAcK_ID C00014138 | + | KNApSAcK_ID C00014138 |
| − | NAME 5,7,2',3',4'-Pentamethoxyflavanone | + | NAME 5,7,2',3',4'-Pentamethoxyflavanone |
| − | CAS_RN 497918-30-6 | + | CAS_RN 497918-30-6 |
| − | FORMULA C20H22O7 | + | FORMULA C20H22O7 |
| − | EXACTMASS 374.136553058 | + | EXACTMASS 374.136553058 |
| − | AVERAGEMASS 374.38448000000005 | + | AVERAGEMASS 374.38448000000005 |
| − | SMILES COc(c3)c(C(=O)1)c(cc3OC)OC(c(c2OC)ccc(c2OC)OC)C1 | + | SMILES COc(c3)c(C(=O)1)c(cc3OC)OC(c(c2OC)ccc(c2OC)OC)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.5089 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5089 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7944 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0800 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0800 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7944 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3490 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3490 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1075 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5364 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5364 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1075 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7944 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1700 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8166 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1659 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4659 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6856 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1664 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8166 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 -0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3863 -0.6812 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
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 0 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL2FALNS0008
KNApSAcK_ID C00014138
NAME 5,7,2',3',4'-Pentamethoxyflavanone
CAS_RN 497918-30-6
FORMULA C20H22O7
EXACTMASS 374.136553058
AVERAGEMASS 374.38448000000005
SMILES COc(c3)c(C(=O)1)c(cc3OC)OC(c(c2OC)ccc(c2OC)OC)C1
M END
