Mol:FL2FFCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.1368 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.1368 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9523 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9523 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7454 0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7454 0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1967 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1967 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1101 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1101 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 1.6687 1.7424 | + | M SVB 2 25 1.6687 1.7424 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -0.7454 0.4197 | + | M SVB 1 23 -0.7454 0.4197 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FFCNS0001 | + | ID FL2FFCNS0001 |
| − | KNApSAcK_ID C00008306 | + | KNApSAcK_ID C00008306 |
| − | NAME 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone | + | NAME 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| − | CAS_RN 100009-93-6 | + | CAS_RN 100009-93-6 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1368 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2941 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1967 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 1.6687 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -0.7454 0.4197
S SKP 8
ID FL2FFCNS0001
KNApSAcK_ID C00008306
NAME 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
CAS_RN 100009-93-6
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1
M END
