Mol:FL2FA9NS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4462 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6361 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 1.6016 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.1362 0.7355 | + | M SVB 2 22 -2.1362 0.7355 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.6591 -1.0073 | + | M SVB 1 20 -1.6591 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NS0004 | + | ID FL2FA9NS0004 |
| − | KNApSAcK_ID C00008145 | + | KNApSAcK_ID C00008145 |
| − | NAME Pinocembrin 5,7-dimethyl ether | + | NAME Pinocembrin 5,7-dimethyl ether |
| − | CAS_RN 36052-66-1 | + | CAS_RN 36052-66-1 |
| − | FORMULA C17H16O4 | + | FORMULA C17H16O4 |
| − | EXACTMASS 284.104859 | + | EXACTMASS 284.104859 |
| − | AVERAGEMASS 284.30654 | + | AVERAGEMASS 284.30654 |
| − | SMILES COc(c1)cc(O2)c(C(=O)CC2c(c3)cccc3)c(OC)1 | + | SMILES COc(c1)cc(O2)c(C(=O)CC2c(c3)cccc3)c(OC)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/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.6016 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
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.1362 0.7355
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.6591 -1.0073
S SKP 8
ID FL2FA9NS0004
KNApSAcK_ID C00008145
NAME Pinocembrin 5,7-dimethyl ether
CAS_RN 36052-66-1
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c1)cc(O2)c(C(=O)CC2c(c3)cccc3)c(OC)1
M END
