Mol:FL2FF9NS0002
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 |
| − | -1.7790 -0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.2893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.2893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -1.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -1.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6609 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6609 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 0.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6361 1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 1.1956 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 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 -2.1362 0.3295 | + | M SVB 1 25 -2.1362 0.3295 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FF9NS0002 | + | ID FL2FF9NS0002 |
| − | KNApSAcK_ID C00008153 | + | KNApSAcK_ID C00008153 |
| − | NAME 5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate | + | NAME 5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate |
| − | CAS_RN 83327-49-5 | + | CAS_RN 83327-49-5 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(C1c(c3)cccc3)c(c2OC(C)=O)c(c(O)cc2OC)C(=O)C1 | + | SMILES O(C1c(c3)cccc3)c(c2OC(C)=O)c(c(O)cc2OC)C(=O)C1 |
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
-1.7790 -0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.2893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6609 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.1956 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
1 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 -2.1362 0.3295
S SKP 8
ID FL2FF9NS0002
KNApSAcK_ID C00008153
NAME 5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate
CAS_RN 83327-49-5
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(C1c(c3)cccc3)c(c2OC(C)=O)c(c(O)cc2OC)C(=O)C1
M END
