Mol:FL2FCCNI0002
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 |
| − | -1.9706 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9706 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9706 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9706 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4143 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4143 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8580 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8580 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8580 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8580 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4143 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4143 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3017 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3017 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2546 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2546 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2546 -0.3511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2546 -0.3511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.3017 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3017 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8107 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8107 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3777 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3777 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9446 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9446 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9446 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9446 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3777 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3777 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8107 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8107 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3017 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3017 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4143 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4143 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5115 0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5115 0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3777 1.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3777 1.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4143 0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4143 0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9872 0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9872 0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9872 1.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9872 1.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5115 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5115 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4344 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4344 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3278 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3278 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8278 1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8278 1.1336 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 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 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.3278 0.2676 | + | M SVB 1 28 -2.3278 0.2676 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCCNI0002 | + | ID FL2FCCNI0002 |
| − | KNApSAcK_ID C00008357 | + | KNApSAcK_ID C00008357 |
| − | NAME 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone | + | NAME 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone |
| − | CAS_RN 72944-03-7 | + | CAS_RN 72944-03-7 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES c(c3CC=C(C)C)(c(c(O)cc3OC)2)OC(CC(=O)2)c(c1)cc(c(O)c1)O | + | SMILES c(c3CC=C(C)C)(c(c(O)cc3OC)2)OC(CC(=O)2)c(c1)cc(c(O)c1)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.9706 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9706 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8580 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8580 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3017 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2546 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2546 -0.3511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3017 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3777 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9446 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9446 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3777 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3017 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5115 0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3777 1.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9872 0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9872 1.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5115 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4344 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3278 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8278 1.1336 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 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
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.3278 0.2676
S SKP 8
ID FL2FCCNI0002
KNApSAcK_ID C00008357
NAME 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
CAS_RN 72944-03-7
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c3CC=C(C)C)(c(c(O)cc3OC)2)OC(CC(=O)2)c(c1)cc(c(O)c1)O
M END
