Mol:FL1DA9NM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4980 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4980 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4980 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4980 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0333 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5685 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5685 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5685 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5685 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0333 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0333 -0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 -0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1041 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1041 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3591 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3591 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2855 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2855 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7488 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7488 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2120 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2120 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2120 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2120 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7488 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7488 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2855 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2855 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1041 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1041 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9624 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9624 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3870 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3870 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2120 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2120 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1041 0.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1041 0.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6104 0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6104 0.3604 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 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 11 1 0 0 0 0 | + | 10 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 |
| − | 8 17 2 0 0 0 0 | + | 8 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 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 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 20 -5.7347 4.8583 | + | M SBV 1 20 -5.7347 4.8583 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 22 -5.3813 4.7948 | + | M SBV 2 22 -5.3813 4.7948 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NM0002 | + | ID FL1DA9NM0002 |
| − | KNApSAcK_ID C00007995 | + | KNApSAcK_ID C00007995 |
| − | NAME 2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone | + | NAME 2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone |
| − | CAS_RN 65349-37-3 | + | CAS_RN 65349-37-3 |
| − | FORMULA C18H20O4 | + | FORMULA C18H20O4 |
| − | EXACTMASS 300.136159128 | + | EXACTMASS 300.136159128 |
| − | AVERAGEMASS 300.349 | + | AVERAGEMASS 300.349 |
| − | SMILES c(c2C)(OC)cc(c(c2O)C(=O)CCc(c1)cccc1)OC | + | SMILES c(c2C)(OC)cc(c(c2O)C(=O)CCc(c1)cccc1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.4980 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4980 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5685 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5685 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3591 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3870 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2120 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 0.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6104 0.3604 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
3 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
8 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 ^OCH3
M SBV 1 20 -5.7347 4.8583
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SBV 2 22 -5.3813 4.7948
S SKP 8
ID FL1DA9NM0002
KNApSAcK_ID C00007995
NAME 2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone
CAS_RN 65349-37-3
FORMULA C18H20O4
EXACTMASS 300.136159128
AVERAGEMASS 300.349
SMILES c(c2C)(OC)cc(c(c2O)C(=O)CCc(c1)cccc1)OC
M END
