Mol:FL2FADNM0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.9317 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9317 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9317 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9317 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3754 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3754 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8191 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8191 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8191 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8191 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3754 0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3754 0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2628 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2628 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2935 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2935 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2935 -0.1190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2935 -0.1190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2628 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2628 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8496 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8496 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4166 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4166 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9836 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9836 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9836 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9836 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4166 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4166 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8496 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8496 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2628 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2628 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3754 -1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3754 -1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4091 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4091 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9836 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9836 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3754 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3754 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3901 -1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3901 -1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6382 1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6382 1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0175 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0175 2.6499 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 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 1.6382 1.7246 | + | M SVB 1 25 1.6382 1.7246 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNM0001 | + | ID FL2FADNM0001 |
| − | KNApSAcK_ID C00008315 | + | KNApSAcK_ID C00008315 |
| − | NAME 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone | + | NAME 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone |
| − | CAS_RN 78417-14-8 | + | CAS_RN 78417-14-8 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c1C)c(C(=O)C2)c(c(c1O)C)O | + | SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c1C)c(C(=O)C2)c(c(c1O)C)O |
M END | M END | ||
| − | |||
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
-1.9317 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9317 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3754 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8191 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8191 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3754 0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2628 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2935 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2935 -0.1190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2628 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8496 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4166 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9836 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9836 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4166 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8496 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2628 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3754 -1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4091 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9836 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3754 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3901 -1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 2.6499 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
19 1 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
2 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 1.6382 1.7246
S SKP 8
ID FL2FADNM0001
KNApSAcK_ID C00008315
NAME 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
CAS_RN 78417-14-8
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c1C)c(C(=O)C2)c(c(c1O)C)O
M END
